5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C26H26F3N5O2 — CID 112833603

IUPAC5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C26H26F3N5O2/c1-15(16-7-9-19(10-8-16)32-25(36)33-20-11-12-20)31-24(35)22-14-30-34(23(22)17-5-6-17)21-4-2-3-18(13-21)26(27,28)29/h2-4,7-10,13-15,17,20H,5-6,11-12H2,1H3,(H,31,35)(H2,32,33,36)
InChIKeyBNOYSIXIRZMLMQ-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.54
Rot. Bonds7

About 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 112833603) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID112833603
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C26H26F3N5O2/c1-15(16-7-9-19(10-8-16)32-25(36)33-20-11-12-20)31-24(35)22-14-30-34(23(22)17-5-6-17)21-4-2-3-18(13-21)26(27,28)29/h2-4,7-10,13-15,17,20H,5-6,11-12H2,1H3,(H,31,35)(H2,32,33,36)
InChIKeyBNOYSIXIRZMLMQ-UHFFFAOYSA-N
XLogP5.54
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873
5-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819195
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
N-[2-chloro-5-(propanoylamino)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112836032
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819212
5-cyclopropyl-N-(3-pyrazol-1-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55765982
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 112833603) is 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is BNOYSIXIRZMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-15(16-7-9-19(10-8-16)32-25(36)33-20-11-12-20)31-24(35)22-14-30-34(23(22)17-5-6-17)21-4-2-3-18(13-21)26(27,28)29/h2-4,7-10,13-15,17,20H,5-6,11-12H2,1H3,(H,31,35)(H2,32,33,36).
What are the key properties of 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 112833603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).