5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide

C22H19F5N6O2 — CID 155098220

IUPAC5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide
SMILESCn1c(-c2cn(C3CC3(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H19F5N6O2/c1-31-15(14-11-33(16-9-21(16,23)24)30-18(14)22(25,26)27)10-28-19(31)20(35)29-12-4-6-13(7-5-12)32-8-2-3-17(32)34/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,29,35)
InChIKeyRJKHWSMNWGJRHV-UHFFFAOYSA-N
MW494.42 g/mol
LogP4.26
Rot. Bonds5

About 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide

5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide (PubChem CID 155098220) has the molecular formula C22H19F5N6O2 and a molecular weight of 494.42 g/mol. Its IUPAC name is 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide
PubChem CID155098220
Molecular FormulaC22H19F5N6O2
Molecular Weight494.42 g/mol
Exact Mass494.15
IUPAC Name5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide
SMILESCn1c(-c2cn(C3CC3(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H19F5N6O2/c1-31-15(14-11-33(16-9-21(16,23)24)30-18(14)22(25,26)27)10-28-19(31)20(35)29-12-4-6-13(7-5-12)32-8-2-3-17(32)34/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,29,35)
InChIKeyRJKHWSMNWGJRHV-UHFFFAOYSA-N
XLogP4.26
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-[[1-[(4-hydroxypyrrolidin-3-yl)carbamoyl]-4-methoxypyrrolidin-3-yl]carbamoyl]phenyl]-5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098059
(1S,5R)-6-[[2-chloro-4-[[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]amino]-N-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 155614937
[(3R,4R)-4-[[(3aS,6aR)-2-[2-chloro-4-[[5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]amino]pyrrolidin-3-yl] formate
CID 155098726
N-[4-[5-(but-3-ynylamino)-4-methylpentanoyl]-3-chlorophenyl]-5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155690580
N-[4-[4-(azetidine-2-carbonyl)piperazine-1-carbonyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098880
N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098485
N-[3-chloro-4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carbonyl]phenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098503
4-[2-chloro-4-[[5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]-N-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 155098240
N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098119
N-[3-chloro-4-[[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamoyl]phenyl]-5-[1-(3-fluorocyclobut-2-en-1-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098397
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[3-bromo-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098531

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide?
The IUPAC name of 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide (CID 155098220) is 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide.
What is the SMILES notation for 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide?
The canonical SMILES for 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide is Cn1c(-c2cn(C3CC3(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide?
The InChIKey is RJKHWSMNWGJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N6O2/c1-31-15(14-11-33(16-9-21(16,23)24)30-18(14)22(25,26)27)10-28-19(31)20(35)29-12-4-6-13(7-5-12)32-8-2-3-17(32)34/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,29,35).
What are the key properties of 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide?
5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide has a molecular weight of 494.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluorocyclopropyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazole-2-carboxamide is sourced from PubChem (CID 155098220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).