5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C21H17FN6O3 — CID 52945031

IUPAC5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C21H17FN6O3/c1-12-2-3-13(20(29)26-18-8-9-31-27-18)10-17(12)25-21(30)16-11-24-28(19(16)23)15-6-4-14(22)5-7-15/h2-11H,23H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyFKUCVXHBCPZEPZ-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.39
Rot. Bonds5

About 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 52945031) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID52945031
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C21H17FN6O3/c1-12-2-3-13(20(29)26-18-8-9-31-27-18)10-17(12)25-21(30)16-11-24-28(19(16)23)15-6-4-14(22)5-7-15/h2-11H,23H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyFKUCVXHBCPZEPZ-UHFFFAOYSA-N
XLogP3.39
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-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

5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 46943424
5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 49838879
4-(4-Morpholinylamino)benzoic acid
CID 16730109
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 25118573
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-o-tolyl-1H-pyrazole-4-carboxamide
CID 52948828
N-(5-methyl-3-isoxazolyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811261
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
5-amino-1-(2-fluorophenyl)-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52941458
5-amino-1-butyl-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52942431
5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52943788
5-amino-1-butyl-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 52943885
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52944121

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 52945031) is 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FKUCVXHBCPZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-12-2-3-13(20(29)26-18-8-9-31-27-18)10-17(12)25-21(30)16-11-24-28(19(16)23)15-6-4-14(22)5-7-15/h2-11H,23H2,1H3,(H,25,30)(H,26,27,29).
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52945031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).