N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

C14H15FN4O2 — CID 47896374

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-14(2,13(16)21)17-12(20)11-6-7-19(18-11)10-5-3-4-9(15)8-10/h3-8H,1-2H3,(H2,16,21)(H,17,20)
InChIKeyJICZRYMVZOQBDZ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.01
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 47896374) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID47896374
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-14(2,13(16)21)17-12(20)11-6-7-19(18-11)10-5-3-4-9(15)8-10/h3-8H,1-2H3,(H2,16,21)(H,17,20)
InChIKeyJICZRYMVZOQBDZ-UHFFFAOYSA-N
XLogP1.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 71880555
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 49168620
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 99811467
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 47896374) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is CC(C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is JICZRYMVZOQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-14(2,13(16)21)17-12(20)11-6-7-19(18-11)10-5-3-4-9(15)8-10/h3-8H,1-2H3,(H2,16,21)(H,17,20).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47896374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).