(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride

C16H21ClN4O — CID 119740026

IUPAC(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCCN1
InChIInChI=1S/C16H20N4O.ClH/c21-16(15-8-4-5-9-17-15)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13;/h1-3,6-7,10,12,15,17H,4-5,8-9,11H2,(H,19,21);1H/t15-;/m0./s1
InChIKeyCWHBMMFMQBJVRC-RSAXXLAASA-N
MW320.82 g/mol
LogP2.43
Rot. Bonds4

About (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119740026) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119740026
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCCN1
InChIInChI=1S/C16H20N4O.ClH/c21-16(15-8-4-5-9-17-15)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13;/h1-3,6-7,10,12,15,17H,4-5,8-9,11H2,(H,19,21);1H/t15-;/m0./s1
InChIKeyCWHBMMFMQBJVRC-RSAXXLAASA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-2-carboxamide
CID 103813844
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride (CID 119740026) is (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is CWHBMMFMQBJVRC-RSAXXLAASA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c21-16(15-8-4-5-9-17-15)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13;/h1-3,6-7,10,12,15,17H,4-5,8-9,11H2,(H,19,21);1H/t15-;/m0./s1.
What are the key properties of (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119740026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).