4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide

C20H19FN4O2 — CID 58451591

IUPAC4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CCc1cccc(NC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN4O2/c21-16-5-1-4-14(9-16)11-18(26)24-17-6-2-3-13(10-17)7-8-15-12-23-25-19(15)20(22)27/h1-6,9-10,12H,7-8,11H2,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyDIEGCNJJZLRZJY-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.61
Rot. Bonds7

About 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide

4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 58451591) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID58451591
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CCc1cccc(NC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN4O2/c21-16-5-1-4-14(9-16)11-18(26)24-17-6-2-3-13(10-17)7-8-15-12-23-25-19(15)20(22)27/h1-6,9-10,12H,7-8,11H2,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyDIEGCNJJZLRZJY-UHFFFAOYSA-N
XLogP2.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 58451571
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide
CID 71483949
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide (CID 58451591) is 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1CCc1cccc(NC(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DIEGCNJJZLRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-5-1-4-14(9-16)11-18(26)24-17-6-2-3-13(10-17)7-8-15-12-23-25-19(15)20(22)27/h1-6,9-10,12H,7-8,11H2,(H2,22,27)(H,23,25)(H,24,26).
What are the key properties of 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58451591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).