4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide

C21H19ClF4N4O2 — CID 154636258

IUPAC4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
SMILESC[C@@H](O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CC2)c1C(F)(F)F
InChIInChI=1S/C21H19ClF4N4O2/c1-10(31)8-30-19(21(24,25)26)12(7-28-30)18-17(20(27)32)13(9-29(18)11-5-6-11)16-14(22)3-2-4-15(16)23/h2-4,7,9-11,31H,5-6,8H2,1H3,(H2,27,32)/t10-/m1/s1
InChIKeyNHWRZSVJZBPEQJ-SNVBAGLBSA-N
MW470.85 g/mol
LogP4.64
Rot. Bonds6

About 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide

4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide (PubChem CID 154636258) has the molecular formula C21H19ClF4N4O2 and a molecular weight of 470.85 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
PubChem CID154636258
Molecular FormulaC21H19ClF4N4O2
Molecular Weight470.85 g/mol
Exact Mass470.11
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
SMILESC[C@@H](O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CC2)c1C(F)(F)F
InChIInChI=1S/C21H19ClF4N4O2/c1-10(31)8-30-19(21(24,25)26)12(7-28-30)18-17(20(27)32)13(9-29(18)11-5-6-11)16-14(22)3-2-4-15(16)23/h2-4,7,9-11,31H,5-6,8H2,1H3,(H2,27,32)/t10-/m1/s1
InChIKeyNHWRZSVJZBPEQJ-SNVBAGLBSA-N
XLogP4.64
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-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

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-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]-2-methoxyethanone
CID 154636079
4-(2-Chloro-6-fluorophenyl)-1-cyclobutyl-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide
CID 154636089
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
1-[4-(2-chloro-6-fluorophenyl)-2-[1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrol-3-yl]pent-4-en-1-one
CID 154636273

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide (CID 154636258) is 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide is C[C@@H](O)Cn1ncc(-c2c(C(N)=O)c(-c3c(F)cccc3Cl)cn2C2CC2)c1C(F)(F)F.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
The InChIKey is NHWRZSVJZBPEQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H19ClF4N4O2/c1-10(31)8-30-19(21(24,25)26)12(7-28-30)18-17(20(27)32)13(9-29(18)11-5-6-11)16-14(22)3-2-4-15(16)23/h2-4,7,9-11,31H,5-6,8H2,1H3,(H2,27,32)/t10-/m1/s1.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide?
4-(2-chloro-6-fluorophenyl)-1-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 470.85 g/mol, XLogP of 4.64, 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-cyclopropyl-2-[1-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 154636258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).