(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide

C14H17FN4O — CID 119329634

IUPAC(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O/c1-9(2)13(16)14(20)18-10-7-17-19(8-10)12-6-4-3-5-11(12)15/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVILLVOLDJXEDNV-ZDUSSCGKSA-N
MW276.31 g/mol
LogP1.93
Rot. Bonds4

About (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide

(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide (PubChem CID 119329634) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
PubChem CID119329634
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O/c1-9(2)13(16)14(20)18-10-7-17-19(8-10)12-6-4-3-5-11(12)15/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVILLVOLDJXEDNV-ZDUSSCGKSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71921698
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
N'-[1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210967
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylbutanamide
CID 60945442
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-amino-6-chloro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 166234236
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 75378606
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide (CID 119329634) is (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide?
The InChIKey is VILLVOLDJXEDNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(2)13(16)14(20)18-10-7-17-19(8-10)12-6-4-3-5-11(12)15/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide has a molecular weight of 276.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide is sourced from PubChem (CID 119329634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).