N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

C15H19FN4O2 — CID 119996780

IUPACN-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC(C)CN)n1
InChIInChI=1S/C15H19FN4O2/c1-9(6-17)7-18-15(22)14-13(21)8-20(19-14)12-4-3-11(16)5-10(12)2/h3-5,8-9,21H,6-7,17H2,1-2H3,(H,18,22)
InChIKeyWAYNHJCQIXWSGJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.35
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 119996780) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID119996780
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC(C)CN)n1
InChIInChI=1S/C15H19FN4O2/c1-9(6-17)7-18-15(22)14-13(21)8-20(19-14)12-4-3-11(16)5-10(12)2/h3-5,8-9,21H,6-7,17H2,1-2H3,(H,18,22)
InChIKeyWAYNHJCQIXWSGJ-UHFFFAOYSA-N
XLogP1.35
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119498479
N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119642881
N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
CID 119667812
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 71975746
N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
CID 119660352
2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
CID 166244486
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119463429
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119595810
5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 167802563
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (CID 119996780) is N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC(C)CN)n1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is WAYNHJCQIXWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-9(6-17)7-18-15(22)14-13(21)8-20(19-14)12-4-3-11(16)5-10(12)2/h3-5,8-9,21H,6-7,17H2,1-2H3,(H,18,22).
What are the key properties of N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 119996780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).