1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C19H15ClN4OS — CID 18132563

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)nc12
InChIInChI=1S/C19H15ClN4OS/c1-12-5-4-8-16-17(12)22-19(26-16)23-18(25)14-9-21-24(11-14)10-13-6-2-3-7-15(13)20/h2-9,11H,10H2,1H3,(H,22,23,25)
InChIKeyNKVTXDORQHIGOO-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.76
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 18132563) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID18132563
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)nc12
InChIInChI=1S/C19H15ClN4OS/c1-12-5-4-8-16-17(12)22-19(26-16)23-18(25)14-9-21-24(11-14)10-13-6-2-3-7-15(13)20/h2-9,11H,10H2,1H3,(H,22,23,25)
InChIKeyNKVTXDORQHIGOO-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500585
3-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471204
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598552
1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 24564587
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 8840432
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985259
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 25299297
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 18132563) is 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is Cc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)nc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is NKVTXDORQHIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-12-5-4-8-16-17(12)22-19(26-16)23-18(25)14-9-21-24(11-14)10-13-6-2-3-7-15(13)20/h2-9,11H,10H2,1H3,(H,22,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 18132563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).