N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H18F3N3O2 — CID 139007597

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cn(CC(F)(F)F)nc3C)CC2)cc1
InChIInChI=1S/C17H18F3N3O2/c1-11-14(9-23(22-11)10-17(18,19)20)15(24)21-16(7-8-16)12-3-5-13(25-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,21,24)
InChIKeySDXPXWZEDWBMQD-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 139007597) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID139007597
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cn(CC(F)(F)F)nc3C)CC2)cc1
InChIInChI=1S/C17H18F3N3O2/c1-11-14(9-23(22-11)10-17(18,19)20)15(24)21-16(7-8-16)12-3-5-13(25-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,21,24)
InChIKeySDXPXWZEDWBMQD-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
6-methoxy-2-methyl-N-(1-phenylcyclobutyl)quinoline-3-carboxamide
CID 51111593
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446434

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 139007597) is N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is COc1ccc(C2(NC(=O)c3cn(CC(F)(F)F)nc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is SDXPXWZEDWBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-14(9-23(22-11)10-17(18,19)20)15(24)21-16(7-8-16)12-3-5-13(25-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139007597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).