(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

C17H21F4N3O — CID 169169291

IUPAC(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C17H21F4N3O/c1-9-12(15(2)7-16(18,19)8-15)23-24(10-4-3-5-10)13(9)22-14(25)11-6-17(11,20)21/h10-11H,3-8H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyUQKNTJOWTCAYSM-NSHDSACASA-N
MW359.37 g/mol
LogP4.20
Rot. Bonds4

About (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 169169291) has the molecular formula C17H21F4N3O and a molecular weight of 359.37 g/mol. Its IUPAC name is (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID169169291
Molecular FormulaC17H21F4N3O
Molecular Weight359.37 g/mol
Exact Mass359.16
IUPAC Name(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C17H21F4N3O/c1-9-12(15(2)7-16(18,19)8-15)23-24(10-4-3-5-10)13(9)22-14(25)11-6-17(11,20)21/h10-11H,3-8H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyUQKNTJOWTCAYSM-NSHDSACASA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-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 (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 169169291) is (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is Cc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is UQKNTJOWTCAYSM-NSHDSACASA-N. The full InChI is InChI=1S/C17H21F4N3O/c1-9-12(15(2)7-16(18,19)8-15)23-24(10-4-3-5-10)13(9)22-14(25)11-6-17(11,20)21/h10-11H,3-8H2,1-2H3,(H,22,25)/t11-/m0/s1.
What are the key properties of (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).