4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide

C23H23ClF4N4O2 — CID 154636089

IUPAC4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
SMILESCC(C)(O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CCC2)c1C(F)(F)F
InChIInChI=1S/C23H23ClF4N4O2/c1-22(2,34)11-32-20(23(26,27)28)13(9-30-32)19-18(21(29)33)14(10-31(19)12-5-3-6-12)17-15(24)7-4-8-16(17)25/h4,7-10,12,34H,3,5-6,11H2,1-2H3,(H2,29,33)
InChIKeyBAUCLONLUPYXKN-UHFFFAOYSA-N
MW498.91 g/mol
LogP5.42
Rot. Bonds6

About 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide

4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide (PubChem CID 154636089) has the molecular formula C23H23ClF4N4O2 and a molecular weight of 498.91 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
PubChem CID154636089
Molecular FormulaC23H23ClF4N4O2
Molecular Weight498.91 g/mol
Exact Mass498.14
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
SMILESCC(C)(O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CCC2)c1C(F)(F)F
InChIInChI=1S/C23H23ClF4N4O2/c1-22(2,34)11-32-20(23(26,27)28)13(9-30-32)19-18(21(29)33)14(10-31(19)12-5-3-6-12)17-15(24)7-4-8-16(17)25/h4,7-10,12,34H,3,5-6,11H2,1-2H3,(H2,29,33)
InChIKeyBAUCLONLUPYXKN-UHFFFAOYSA-N
XLogP5.42
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.91
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-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

N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-2-chloro-5-(4-chloro-2-methylpyrazol-3-yl)-1-methylpyrrole-3-carboxamide
CID 24997127
N-((1S)-2-amino-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-2-chloro-1-methyl-5-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrole-3-carboxamide
CID 24997128
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-2-chloro-5-(4-chloro-2-methylpyrazol-3-yl)-1-methylpyrrole-3-carboxamide
CID 74382827
4-(2-Chloro-6-fluorophenyl)-1-cyclopentyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636047
1-[4-(2-chloro-6-fluorophenyl)-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]ethanone
CID 154636069
1-[4-(2-chloro-6-fluorophenyl)-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]-2-methoxyethanone
CID 154636116
4-(2-chloro-6-fluorophenyl)-1-cyclopentyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636133
1-[4-(2-chloro-6-fluorophenyl)-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]-2-cyclobutylethanone
CID 154636149
4-(2-Chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636178
4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636198
1-[4-(2-chloro-6-fluorophenyl)-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]ethanone
CID 154636244
4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636258

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide (CID 154636089) is 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide is CC(C)(O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CCC2)c1C(F)(F)F.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The InChIKey is BAUCLONLUPYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N4O2/c1-22(2,34)11-32-20(23(26,27)28)13(9-30-32)19-18(21(29)33)14(10-31(19)12-5-3-6-12)17-15(24)7-4-8-16(17)25/h4,7-10,12,34H,3,5-6,11H2,1-2H3,(H2,29,33).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 498.91 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 154636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).