[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

C18H17FN4O — CID 24861476

IUPAC[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNCCc1cccc(C(=O)c2c(N)n[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O/c19-14-6-4-12(5-7-14)16-15(18(21)23-22-16)17(24)13-3-1-2-11(10-13)8-9-20/h1-7,10H,8-9,20H2,(H3,21,22,23)
InChIKeyHJVGXFHOTSGKCS-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.53
Rot. Bonds5

About [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 24861476) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID24861476
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNCCc1cccc(C(=O)c2c(N)n[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O/c19-14-6-4-12(5-7-14)16-15(18(21)23-22-16)17(24)13-3-1-2-11(10-13)8-9-20/h1-7,10H,8-9,20H2,(H3,21,22,23)
InChIKeyHJVGXFHOTSGKCS-UHFFFAOYSA-N
XLogP2.53
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone 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

(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 10777890
3-amino-5-phenyl-1H-pyrazole-4-carboxamide
CID 14775202
3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
CID 3592853
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451927
1-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]-2-bromoethanone
CID 22616285
1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
CID 54513158
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone
CID 67013209
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 67014080
2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethenesulfonamide
CID 67014428
(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 67709045
1-[5-phenyl-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-4-yl]ethanone
CID 67717245
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
CID 69404648

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 24861476) is [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is NCCc1cccc(C(=O)c2c(N)n[nH]c2-c2ccc(F)cc2)c1.
What is the InChIKey of [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is HJVGXFHOTSGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-6-4-12(5-7-14)16-15(18(21)23-22-16)17(24)13-3-1-2-11(10-13)8-9-20/h1-7,10H,8-9,20H2,(H3,21,22,23).
What are the key properties of [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 24861476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).