4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide

C16H15ClN4OS — CID 661004

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-10-14(17)11(2)21(20-10)9-12-3-5-13(6-4-12)15(22)19-16-18-7-8-23-16/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyQXGQILWUEPFTRO-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.91
Rot. Bonds4

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 661004) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID661004
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-10-14(17)11(2)21(20-10)9-12-3-5-13(6-4-12)15(22)19-16-18-7-8-23-16/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyQXGQILWUEPFTRO-UHFFFAOYSA-N
XLogP3.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide (CID 661004) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide is Cc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QXGQILWUEPFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-10-14(17)11(2)21(20-10)9-12-3-5-13(6-4-12)15(22)19-16-18-7-8-23-16/h3-8H,9H2,1-2H3,(H,18,19,22).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 346.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 661004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).