2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride

C16H22ClFN4O — CID 119796623

IUPAC2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-4-11(3)15(18)16(22)20-12-5-6-14(13(17)7-12)21-9-10(2)8-19-21;/h5-9,11,15H,4,18H2,1-3H3,(H,20,22);1H
InChIKeyBQEOKTQLCQOMFY-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.05
Rot. Bonds5

About 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119796623) has the molecular formula C16H22ClFN4O and a molecular weight of 340.83 g/mol. Its IUPAC name is 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
PubChem CID119796623
Molecular FormulaC16H22ClFN4O
Molecular Weight340.83 g/mol
Exact Mass340.15
IUPAC Name2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1.Cl
InChIInChI=1S/C16H21FN4O.ClH/c1-4-11(3)15(18)16(22)20-12-5-6-14(13(17)7-12)21-9-10(2)8-19-21;/h5-9,11,15H,4,18H2,1-3H3,(H,20,22);1H
InChIKeyBQEOKTQLCQOMFY-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111435060
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474913
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylbutanamide
CID 60945442
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437782
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride (CID 119796623) is 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is BQEOKTQLCQOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.ClH/c1-4-11(3)15(18)16(22)20-12-5-6-14(13(17)7-12)21-9-10(2)8-19-21;/h5-9,11,15H,4,18H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119796623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).