(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide

C18H21ClN4O2 — CID 95900961

IUPAC(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-15(18(25)22-9-5-8-14(11-22)17(20)24)16(19)23(21-12)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H2,20,24)/t14-/m1/s1
InChIKeyGKXJZIMOEGXXFH-CQSZACIVSA-N
MW360.85 g/mol
LogP2.23
Rot. Bonds4

About (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide

(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 95900961) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID95900961
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-15(18(25)22-9-5-8-14(11-22)17(20)24)16(19)23(21-12)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H2,20,24)/t14-/m1/s1
InChIKeyGKXJZIMOEGXXFH-CQSZACIVSA-N
XLogP2.23
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8844863
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56544545
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557482
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885180

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide (CID 95900961) is (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is GKXJZIMOEGXXFH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-15(18(25)22-9-5-8-14(11-22)17(20)24)16(19)23(21-12)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H2,20,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide?
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95900961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).