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

C21H22ClN5O2S — CID 55952408

IUPAC1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)n1
InChIInChI=1S/C21H22ClN5O2S/c1-14-13-30-21(24-14)25-19(28)15-6-8-26(9-7-15)20(29)17-10-23-27(12-17)11-16-4-2-3-5-18(16)22/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,24,25,28)
InChIKeyXEPFTDDIBWQFIU-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.84
Rot. Bonds5

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

1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952408) has the molecular formula C21H22ClN5O2S and a molecular weight of 443.96 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952408
Molecular FormulaC21H22ClN5O2S
Molecular Weight443.96 g/mol
Exact Mass443.12
IUPAC Name1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)n1
InChIInChI=1S/C21H22ClN5O2S/c1-14-13-30-21(24-14)25-19(28)15-6-8-26(9-7-15)20(29)17-10-23-27(12-17)11-16-4-2-3-5-18(16)22/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,24,25,28)
InChIKeyXEPFTDDIBWQFIU-UHFFFAOYSA-N
XLogP3.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrate
CID 159837184
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460804
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156929
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952408) is 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)n1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is XEPFTDDIBWQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2S/c1-14-13-30-21(24-14)25-19(28)15-6-8-26(9-7-15)20(29)17-10-23-27(12-17)11-16-4-2-3-5-18(16)22/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,24,25,28).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 443.96 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).