5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C18H15ClN4S — CID 71654524

IUPAC5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1C1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H15ClN4S/c1-11-17(24-18(21-11)13-3-2-8-20-10-13)16-9-15(22-23-16)12-4-6-14(19)7-5-12/h2-8,10,15,22H,9H2,1H3
InChIKeySQCYNSYVIKWNGE-UHFFFAOYSA-N
MW354.87 g/mol
LogP4.61
Rot. Bonds3

About 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 71654524) has the molecular formula C18H15ClN4S and a molecular weight of 354.87 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID71654524
Molecular FormulaC18H15ClN4S
Molecular Weight354.87 g/mol
Exact Mass354.07
IUPAC Name5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1C1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H15ClN4S/c1-11-17(24-18(21-11)13-3-2-8-20-10-13)16-9-15(22-23-16)12-4-6-14(19)7-5-12/h2-8,10,15,22H,9H2,1H3
InChIKeySQCYNSYVIKWNGE-UHFFFAOYSA-N
XLogP4.61
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 71654524) is 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1C1=NNC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is SQCYNSYVIKWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4S/c1-11-17(24-18(21-11)13-3-2-8-20-10-13)16-9-15(22-23-16)12-4-6-14(19)7-5-12/h2-8,10,15,22H,9H2,1H3.
What are the key properties of 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 354.87 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 71654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).