(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone

C10H7F2N3O — CID 65360116

IUPAC(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H7F2N3O/c11-6-1-5(2-7(12)3-6)9(16)8-4-14-15-10(8)13/h1-4H,(H3,13,14,15)
InChIKeyLDNCUQJTSVIQRO-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.50
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone (PubChem CID 65360116) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone
PubChem CID65360116
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H7F2N3O/c11-6-1-5(2-7(12)3-6)9(16)8-4-14-15-10(8)13/h1-4H,(H3,13,14,15)
InChIKeyLDNCUQJTSVIQRO-UHFFFAOYSA-N
XLogP1.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone (CID 65360116) is (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone is Nc1[nH]ncc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone?
The InChIKey is LDNCUQJTSVIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-6-1-5(2-7(12)3-6)9(16)8-4-14-15-10(8)13/h1-4H,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone has a molecular weight of 223.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 65360116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).