N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

C14H18ClFN4O — CID 119997336

IUPACN-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C14H17FN4O.ClH/c1-9(7-16)8-17-14(20)13-6-12(18-19-13)10-2-4-11(15)5-3-10;/h2-6,9H,7-8,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyKTKKNCKMYSQRCW-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.96
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119997336) has the molecular formula C14H18ClFN4O and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119997336
Molecular FormulaC14H18ClFN4O
Molecular Weight312.78 g/mol
Exact Mass312.12
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C14H17FN4O.ClH/c1-9(7-16)8-17-14(20)13-6-12(18-19-13)10-2-4-11(15)5-3-10;/h2-6,9H,7-8,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyKTKKNCKMYSQRCW-UHFFFAOYSA-N
XLogP1.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119997336) is N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is CC(CN)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is KTKKNCKMYSQRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.ClH/c1-9(7-16)8-17-14(20)13-6-12(18-19-13)10-2-4-11(15)5-3-10;/h2-6,9H,7-8,16H2,1H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 312.78 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).