(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

C17H20F5N3O — CID 169169348

IUPAC(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCn1nc(C2(C(F)(F)F)CCC2)c(C2CCC2)c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C17H20F5N3O/c1-25-13(23-14(26)10-8-16(10,18)19)11(9-4-2-5-9)12(24-25)15(6-3-7-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,26)/t10-/m1/s1
InChIKeyYGBUTMMHSVOLAI-SNVBAGLBSA-N
MW377.36 g/mol
LogP4.27
Rot. Bonds4

About (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 169169348) has the molecular formula C17H20F5N3O and a molecular weight of 377.36 g/mol. Its IUPAC name is (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID169169348
Molecular FormulaC17H20F5N3O
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC Name(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCn1nc(C2(C(F)(F)F)CCC2)c(C2CCC2)c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C17H20F5N3O/c1-25-13(23-14(26)10-8-16(10,18)19)11(9-4-2-5-9)12(24-25)15(6-3-7-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,26)/t10-/m1/s1
InChIKeyYGBUTMMHSVOLAI-SNVBAGLBSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 169169348) is (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is Cn1nc(C2(C(F)(F)F)CCC2)c(C2CCC2)c1NC(=O)[C@H]1CC1(F)F.
What is the InChIKey of (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is YGBUTMMHSVOLAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20F5N3O/c1-25-13(23-14(26)10-8-16(10,18)19)11(9-4-2-5-9)12(24-25)15(6-3-7-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,26)/t10-/m1/s1.
What are the key properties of (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-cyclobutyl-1-methyl-3-[1-(trifluoromethyl)cyclobutyl]pyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169169348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).