(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

C20H22F3N3O — CID 169169816

IUPAC(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)[C@H]2CC2(C)C)c(-c2ccc(F)cc2)c1C1CC(F)(F)C1
InChIInChI=1S/C20H22F3N3O/c1-19(2)10-14(19)18(27)24-17-15(11-4-6-13(21)7-5-11)16(26(3)25-17)12-8-20(22,23)9-12/h4-7,12,14H,8-10H2,1-3H3,(H,24,25,27)/t14-/m1/s1
InChIKeyAOLJTRWSTZTVKX-CQSZACIVSA-N
MW377.41 g/mol
LogP4.72
Rot. Bonds4

About (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 169169816) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID169169816
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)[C@H]2CC2(C)C)c(-c2ccc(F)cc2)c1C1CC(F)(F)C1
InChIInChI=1S/C20H22F3N3O/c1-19(2)10-14(19)18(27)24-17-15(11-4-6-13(21)7-5-11)16(26(3)25-17)12-8-20(22,23)9-12/h4-7,12,14H,8-10H2,1-3H3,(H,24,25,27)/t14-/m1/s1
InChIKeyAOLJTRWSTZTVKX-CQSZACIVSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-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-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 169169816) is (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is Cn1nc(NC(=O)[C@H]2CC2(C)C)c(-c2ccc(F)cc2)c1C1CC(F)(F)C1.
What is the InChIKey of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is AOLJTRWSTZTVKX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-19(2)10-14(19)18(27)24-17-15(11-4-6-13(21)7-5-11)16(26(3)25-17)12-8-20(22,23)9-12/h4-7,12,14H,8-10H2,1-3H3,(H,24,25,27)/t14-/m1/s1.
What are the key properties of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 169169816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).