3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C16H21ClN4O — CID 119399799

IUPAC3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C16H20N4O.ClH/c17-13-3-1-2-12(10-13)16(21)19-14-6-4-11(5-7-14)15-8-9-18-20-15;/h4-9,12-13H,1-3,10,17H2,(H,18,20)(H,19,21);1H
InChIKeyHAIWXFRLPVRBNI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119399799) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119399799
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C16H20N4O.ClH/c17-13-3-1-2-12(10-13)16(21)19-14-6-4-11(5-7-14)15-8-9-18-20-15;/h4-9,12-13H,1-3,10,17H2,(H,18,20)(H,19,21);1H
InChIKeyHAIWXFRLPVRBNI-UHFFFAOYSA-N
XLogP2.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119399799) is 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HAIWXFRLPVRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c17-13-3-1-2-12(10-13)16(21)19-14-6-4-11(5-7-14)15-8-9-18-20-15;/h4-9,12-13H,1-3,10,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119399799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).