(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C17H21ClN4O2 — CID 125179775

IUPAC(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)N1CCC[C@H](CO)C1
InChIInChI=1S/C17H21ClN4O2/c18-15-6-2-1-5-14(15)11-22-16(7-8-19-22)20-17(24)21-9-3-4-13(10-21)12-23/h1-2,5-8,13,23H,3-4,9-12H2,(H,20,24)/t13-/m0/s1
InChIKeyZHYPDIUIOXLZLU-ZDUSSCGKSA-N
MW348.83 g/mol
LogP2.82
Rot. Bonds4

About (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 125179775) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID125179775
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)N1CCC[C@H](CO)C1
InChIInChI=1S/C17H21ClN4O2/c18-15-6-2-1-5-14(15)11-22-16(7-8-19-22)20-17(24)21-9-3-4-13(10-21)12-23/h1-2,5-8,13,23H,3-4,9-12H2,(H,20,24)/t13-/m0/s1
InChIKeyZHYPDIUIOXLZLU-ZDUSSCGKSA-N
XLogP2.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 125162851
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904793
1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090603
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 125179775) is (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCC[C@H](CO)C1.
What is the InChIKey of (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is ZHYPDIUIOXLZLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-15-6-2-1-5-14(15)11-22-16(7-8-19-22)20-17(24)21-9-3-4-13(10-21)12-23/h1-2,5-8,13,23H,3-4,9-12H2,(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125179775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).