(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride

C16H29ClN4O — CID 119794268

IUPAC(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-11(2)9-13(17)16(21)18-15-10-14(19-20-15)12-7-5-3-4-6-8-12;/h10-13H,3-9,17H2,1-2H3,(H2,18,19,20,21);1H/t13-;/m0./s1
InChIKeyZWNLAXXPEQCPHJ-ZOWNYOTGSA-N
MW328.89 g/mol
LogP3.58
Rot. Bonds5

About (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride (PubChem CID 119794268) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
PubChem CID119794268
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-11(2)9-13(17)16(21)18-15-10-14(19-20-15)12-7-5-3-4-6-8-12;/h10-13H,3-9,17H2,1-2H3,(H2,18,19,20,21);1H/t13-;/m0./s1
InChIKeyZWNLAXXPEQCPHJ-ZOWNYOTGSA-N
XLogP3.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112639598
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2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
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N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 119329603
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
CID 119794227
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
CID 119855700
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 75362957
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
CID 83849771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride (CID 119794268) is (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The InChIKey is ZWNLAXXPEQCPHJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-11(2)9-13(17)16(21)18-15-10-14(19-20-15)12-7-5-3-4-6-8-12;/h10-13H,3-9,17H2,1-2H3,(H2,18,19,20,21);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119794268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).