N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide

C18H17F3IN3O — CID 167460130

IUPACN-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(C2CC2)c1)C1(n2cc(I)cn2)CCC1
InChIInChI=1S/C18H17F3IN3O/c19-18(20,21)15-5-4-13(8-14(15)11-2-3-11)24-16(26)17(6-1-7-17)25-10-12(22)9-23-25/h4-5,8-11H,1-3,6-7H2,(H,24,26)
InChIKeyGMUYZNVIFNRUCF-UHFFFAOYSA-N
MW475.25 g/mol
LogP4.90
Rot. Bonds4

About N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide

N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide (PubChem CID 167460130) has the molecular formula C18H17F3IN3O and a molecular weight of 475.25 g/mol. Its IUPAC name is N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide
PubChem CID167460130
Molecular FormulaC18H17F3IN3O
Molecular Weight475.25 g/mol
Exact Mass475.04
IUPAC NameN-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(C2CC2)c1)C1(n2cc(I)cn2)CCC1
InChIInChI=1S/C18H17F3IN3O/c19-18(20,21)15-5-4-13(8-14(15)11-2-3-11)24-16(26)17(6-1-7-17)25-10-12(22)9-23-25/h4-5,8-11H,1-3,6-7H2,(H,24,26)
InChIKeyGMUYZNVIFNRUCF-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-piperidin-4-ylpyrazol-1-yl)cyclobutane-1-carboxamide
CID 162434473
tert-butyl 3-[2-[1-[1-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutyl]pyrazol-4-yl]ethynyl]azetidine-1-carboxylate
CID 162434454
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-(4-piperidin-4-ylpyrazol-1-yl)cyclobutane-1-carboxamide
CID 167459924
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]cyclobutane-1-carboxamide
CID 172772687
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941395
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazol-1-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 167459949
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1-(4-fluoro-5-oxo-1H-pyrazol-2-yl)-N-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 166649855
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972109
tert-butyl 4-[1-[1-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclobutyl]pyrazol-4-yl]piperidin-4-yl]piperidine-1-carboxylate
CID 167459869
N-[2-cyclohexyl-4-(trifluoromethyl)phenyl]-2-(4-iodopyrazol-1-yl)-2-methylpropanamide
CID 167460002

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide (CID 167460130) is N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(C2CC2)c1)C1(n2cc(I)cn2)CCC1.
What is the InChIKey of N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide?
The InChIKey is GMUYZNVIFNRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3IN3O/c19-18(20,21)15-5-4-13(8-14(15)11-2-3-11)24-16(26)17(6-1-7-17)25-10-12(22)9-23-25/h4-5,8-11H,1-3,6-7H2,(H,24,26).
What are the key properties of N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide?
N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide has a molecular weight of 475.25 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1-(4-iodopyrazol-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167460130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).