1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole

C20H21ClN6 — CID 19588278

IUPAC1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole
SMILESCc1nn(C)cc1-c1nn(-c2cccc(Cl)c2)c(-c2cn(C)nc2C)c1C
InChIInChI=1S/C20H21ClN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-7-15(21)9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3
InChIKeyOVMWWIJRTIOHCP-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole

1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole (PubChem CID 19588278) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole
PubChem CID19588278
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole
SMILESCc1nn(C)cc1-c1nn(-c2cccc(Cl)c2)c(-c2cn(C)nc2C)c1C
InChIInChI=1S/C20H21ClN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-7-15(21)9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3
InChIKeyOVMWWIJRTIOHCP-UHFFFAOYSA-N
XLogP4.25
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole?
The IUPAC name of 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole (CID 19588278) is 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole is Cc1nn(C)cc1-c1nn(-c2cccc(Cl)c2)c(-c2cn(C)nc2C)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole?
The InChIKey is OVMWWIJRTIOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-7-15(21)9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3.
What are the key properties of 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole?
1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole has a molecular weight of 380.88 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methylpyrazole is sourced from PubChem (CID 19588278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).