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

C16H22ClFN4O — CID 119639746

IUPACN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-3-16(18,4-2)10-19-15(22)14-9-13(20-21-14)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyFJRCZZDETJRIAB-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.88
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119639746) has the molecular formula C16H22ClFN4O and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119639746
Molecular FormulaC16H22ClFN4O
Molecular Weight340.83 g/mol
Exact Mass340.15
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-3-16(18,4-2)10-19-15(22)14-9-13(20-21-14)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyFJRCZZDETJRIAB-UHFFFAOYSA-N
XLogP2.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119643846
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide
CID 171136666
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119639746) is N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is FJRCZZDETJRIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.ClH/c1-3-16(18,4-2)10-19-15(22)14-9-13(20-21-14)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119639746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).