4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane

C23H24F4N4O3 — CID 165004214

IUPAC4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
SMILESC.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1
InChIInChI=1S/C22H20F4N4O3.CH4/c1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;/h3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);1H4
InChIKeyISFMBMPOSXODQA-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.83
Rot. Bonds6

About 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane

4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane (PubChem CID 165004214) has the molecular formula C23H24F4N4O3 and a molecular weight of 480.46 g/mol. Its IUPAC name is 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane.

Molecular Properties

Compound Name4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
PubChem CID165004214
Molecular FormulaC23H24F4N4O3
Molecular Weight480.46 g/mol
Exact Mass480.18
IUPAC Name4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
SMILESC.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1
InChIInChI=1S/C22H20F4N4O3.CH4/c1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;/h3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);1H4
InChIKeyISFMBMPOSXODQA-UHFFFAOYSA-N
XLogP4.83
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane 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

N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 165104174
N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]-3,5-difluorophenyl]methyl]-5-fluoro-2-methylbenzamide
CID 164968126
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164960405
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 165037096
2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 164954047
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 164993057
N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone
CID 165075810
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 164784428
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The IUPAC name of 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane (CID 165004214) is 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane.
What is the SMILES notation for 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The canonical SMILES for 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane is C.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1.
What is the InChIKey of 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The InChIKey is ISFMBMPOSXODQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3.CH4/c1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;/h3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);1H4.
What are the key properties of 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane has a molecular weight of 480.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane is sourced from PubChem (CID 165004214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).