N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride

C14H18Cl2N4O — CID 119630152

IUPACN-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1Cl.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15;/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyOAOMFLSAXPKAAN-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.62
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119630152) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119630152
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC NameN-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1Cl.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15;/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyOAOMFLSAXPKAAN-UHFFFAOYSA-N
XLogP2.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
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N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride (CID 119630152) is N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1cn[nH]c1-c1ccccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is OAOMFLSAXPKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c1-14(2,16)8-17-13(20)10-7-18-19-12(10)9-5-3-4-6-11(9)15;/h3-7H,8,16H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119630152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).