3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)

C135H161Cl8F2N21 — CID 159321418

IUPAC3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)
SMILESCC1=C(C(C)C)C(c2ccc(Cl)cc2)=NC1.Cc1c(C(C)C)c(-c2cccc(Cl)c2)nn1C.Cc1c(C(C)C)c(-c2cncc(Cl)c2)nn1C.Cc1cc(C(C)C)n(-c2ccc(Cl)c(F)c2)n1.Cc1cc(C(C)C)n(-c2ccc(Cl)cc2)n1.Cc1cc(C(C)C)n(-c2ccc(F)c(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cncc(Cl)c2)n1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1
InChIInChI=1S/2C15H20N2.C14H17ClN2.C14H16ClN.2C13H14ClFN2.C13H16ClN3.2C13H15ClN2.C12H14ClN3/c2*1-10(2)14-12(4)17(5)16-15(14)13-8-6-11(3)7-9-13;1-9(2)13-10(3)17(4)16-14(13)11-6-5-7-12(15)8-11;1-9(2)13-10(3)8-16-14(13)11-4-6-12(15)7-5-11;1-8(2)13-6-9(3)16-17(13)10-4-5-12(15)11(14)7-10;1-8(2)13-6-9(3)16-17(13)10-4-5-11(14)12(15)7-10;1-8(2)12-9(3)17(4)16-13(12)10-5-11(14)7-15-6-10;1-9(2)13-8-10(3)15-16(13)12-6-4-11(14)5-7-12;1-9(2)13-7-10(3)15-16(13)12-6-4-5-11(14)8-12;1-8(2)12-4-9(3)15-16(12)11-5-10(13)6-14-7-11/h2*6-10H,1-5H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;5-8H,1-4H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyLDUWNZRCSQKCNV-UHFFFAOYSA-N
MW2399.54 g/mol
LogP38.97
Rot. Bonds20

About 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)

3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) (PubChem CID 159321418) has the molecular formula C135H161Cl8F2N21 and a molecular weight of 2399.54 g/mol. Its IUPAC name is 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole).

Molecular Properties

Compound Name3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)
PubChem CID159321418
Molecular FormulaC135H161Cl8F2N21
Molecular Weight2399.54 g/mol
Exact Mass2394.07
IUPAC Name3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)
SMILESCC1=C(C(C)C)C(c2ccc(Cl)cc2)=NC1.Cc1c(C(C)C)c(-c2cccc(Cl)c2)nn1C.Cc1c(C(C)C)c(-c2cncc(Cl)c2)nn1C.Cc1cc(C(C)C)n(-c2ccc(Cl)c(F)c2)n1.Cc1cc(C(C)C)n(-c2ccc(Cl)cc2)n1.Cc1cc(C(C)C)n(-c2ccc(F)c(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cncc(Cl)c2)n1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1
InChIInChI=1S/2C15H20N2.C14H17ClN2.C14H16ClN.2C13H14ClFN2.C13H16ClN3.2C13H15ClN2.C12H14ClN3/c2*1-10(2)14-12(4)17(5)16-15(14)13-8-6-11(3)7-9-13;1-9(2)13-10(3)17(4)16-14(13)11-6-5-7-12(15)8-11;1-9(2)13-10(3)8-16-14(13)11-4-6-12(15)7-5-11;1-8(2)13-6-9(3)16-17(13)10-4-5-12(15)11(14)7-10;1-8(2)13-6-9(3)16-17(13)10-4-5-11(14)12(15)7-10;1-8(2)12-9(3)17(4)16-13(12)10-5-11(14)7-15-6-10;1-9(2)13-8-10(3)15-16(13)12-6-4-11(14)5-7-12;1-9(2)13-7-10(3)15-16(13)12-6-4-5-11(14)8-12;1-8(2)12-4-9(3)15-16(12)11-5-10(13)6-14-7-11/h2*6-10H,1-5H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;5-8H,1-4H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyLDUWNZRCSQKCNV-UHFFFAOYSA-N
XLogP38.97
TPSA198.52 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002399.54
LogP ≤ 538.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)?
The IUPAC name of 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) (CID 159321418) is 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole).
What is the SMILES notation for 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)?
The canonical SMILES for 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) is CC1=C(C(C)C)C(c2ccc(Cl)cc2)=NC1.Cc1c(C(C)C)c(-c2cccc(Cl)c2)nn1C.Cc1c(C(C)C)c(-c2cncc(Cl)c2)nn1C.Cc1cc(C(C)C)n(-c2ccc(Cl)c(F)c2)n1.Cc1cc(C(C)C)n(-c2ccc(Cl)cc2)n1.Cc1cc(C(C)C)n(-c2ccc(F)c(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)n(-c2cncc(Cl)c2)n1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1.Cc1ccc(-c2nn(C)c(C)c2C(C)C)cc1.
What is the InChIKey of 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)?
The InChIKey is LDUWNZRCSQKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20N2.C14H17ClN2.C14H16ClN.2C13H14ClFN2.C13H16ClN3.2C13H15ClN2.C12H14ClN3/c2*1-10(2)14-12(4)17(5)16-15(14)13-8-6-11(3)7-9-13;1-9(2)13-10(3)17(4)16-14(13)11-6-5-7-12(15)8-11;1-9(2)13-10(3)8-16-14(13)11-4-6-12(15)7-5-11;1-8(2)13-6-9(3)16-17(13)10-4-5-12(15)11(14)7-10;1-8(2)13-6-9(3)16-17(13)10-4-5-11(14)12(15)7-10;1-8(2)12-9(3)17(4)16-13(12)10-5-11(14)7-15-6-10;1-9(2)13-8-10(3)15-16(13)12-6-4-11(14)5-7-12;1-9(2)13-7-10(3)15-16(13)12-6-4-5-11(14)8-12;1-8(2)12-4-9(3)15-16(12)11-5-10(13)6-14-7-11/h2*6-10H,1-5H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;5-8H,1-4H3;2*4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole)?
3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) has a molecular weight of 2399.54 g/mol, XLogP of 38.97, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(3-chloro-4-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-chloro-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;5-(4-chlorophenyl)-3-methyl-4-propan-2-yl-2H-pyrrole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole) is sourced from PubChem (CID 159321418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).