(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide

C17H23FN4O — CID 119731557

IUPAC(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2F)n1
InChIInChI=1S/C17H23FN4O/c1-10(2)7-15(19)17(23)20-13-5-6-16(14(18)9-13)22-12(4)8-11(3)21-22/h5-6,8-10,15H,7,19H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyZSPMWEIFQQRFRS-HNNXBMFYSA-N
MW318.40 g/mol
LogP2.94
Rot. Bonds5

About (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide (PubChem CID 119731557) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
PubChem CID119731557
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2F)n1
InChIInChI=1S/C17H23FN4O/c1-10(2)7-15(19)17(23)20-13-5-6-16(14(18)9-13)22-12(4)8-11(3)21-22/h5-6,8-10,15H,7,19H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyZSPMWEIFQQRFRS-HNNXBMFYSA-N
XLogP2.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide (CID 119731557) is (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2F)n1.
What is the InChIKey of (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide?
The InChIKey is ZSPMWEIFQQRFRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-10(2)7-15(19)17(23)20-13-5-6-16(14(18)9-13)22-12(4)8-11(3)21-22/h5-6,8-10,15H,7,19H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide has a molecular weight of 318.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide is sourced from PubChem (CID 119731557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).