(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride

C17H23ClN4O — CID 154915070

IUPAC(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.N[C@H](C(=O)Nc1cccc(-n2cccn2)c1)C1CCCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-16(13-6-2-1-3-7-13)17(22)20-14-8-4-9-15(12-14)21-11-5-10-19-21;/h4-5,8-13,16H,1-3,6-7,18H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyRYZFHBSPEOVPLQ-NTISSMGPSA-N
MW334.85 g/mol
LogP3.14
Rot. Bonds4

About (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride

(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride (PubChem CID 154915070) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
PubChem CID154915070
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.N[C@H](C(=O)Nc1cccc(-n2cccn2)c1)C1CCCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-16(13-6-2-1-3-7-13)17(22)20-14-8-4-9-15(12-14)21-11-5-10-19-21;/h4-5,8-13,16H,1-3,6-7,18H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyRYZFHBSPEOVPLQ-NTISSMGPSA-N
XLogP3.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
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CID 81083660
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride (CID 154915070) is (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride is Cl.N[C@H](C(=O)Nc1cccc(-n2cccn2)c1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The InChIKey is RYZFHBSPEOVPLQ-NTISSMGPSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c18-16(13-6-2-1-3-7-13)17(22)20-14-8-4-9-15(12-14)21-11-5-10-19-21;/h4-5,8-13,16H,1-3,6-7,18H2,(H,20,22);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 154915070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).