3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O — CID 119704830

IUPAC3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CCC(N)C2)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-9-16(19-17(22)14-7-8-15(18)10-14)21(20-12)11-13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,22);1H
InChIKeyZFLABFUKUBUVNK-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119704830) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119704830
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CCC(N)C2)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-9-16(19-17(22)14-7-8-15(18)10-14)21(20-12)11-13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,22);1H
InChIKeyZFLABFUKUBUVNK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119704830) is 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride is Cc1cc(NC(=O)C2CCC(N)C2)n(Cc2ccccc2)n1.Cl.
What is the InChIKey of 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ZFLABFUKUBUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-9-16(19-17(22)14-7-8-15(18)10-14)21(20-12)11-13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,22);1H.
What are the key properties of 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119704830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).