(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

C18H24F3N3O — CID 169169265

IUPAC(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2(C)CC(C)(F)C2)nn(C2CCC2)c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C18H24F3N3O/c1-10-13(16(2)8-17(3,19)9-16)23-24(11-5-4-6-11)14(10)22-15(25)12-7-18(12,20)21/h11-12H,4-9H2,1-3H3,(H,22,25)/t12-,16?,17?/m1/s1
InChIKeyYGBYNSRFLCYEAU-AXOLYNHLSA-N
MW355.40 g/mol
LogP4.29
Rot. Bonds4

About (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 169169265) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID169169265
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2(C)CC(C)(F)C2)nn(C2CCC2)c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C18H24F3N3O/c1-10-13(16(2)8-17(3,19)9-16)23-24(11-5-4-6-11)14(10)22-15(25)12-7-18(12,20)21/h11-12H,4-9H2,1-3H3,(H,22,25)/t12-,16?,17?/m1/s1
InChIKeyYGBYNSRFLCYEAU-AXOLYNHLSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-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-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 169169265) is (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is Cc1c(C2(C)CC(C)(F)C2)nn(C2CCC2)c1NC(=O)[C@H]1CC1(F)F.
What is the InChIKey of (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is YGBYNSRFLCYEAU-AXOLYNHLSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-10-13(16(2)8-17(3,19)9-16)23-24(11-5-4-6-11)14(10)22-15(25)12-7-18(12,20)21/h11-12H,4-9H2,1-3H3,(H,22,25)/t12-,16?,17?/m1/s1.
What are the key properties of (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169169265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).