N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C17H20F5N3O — CID 169169846

IUPACN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)C2(C(F)(F)F)CC2)c(C2CCC2)c1C1CC(F)(F)C1
InChIInChI=1S/C17H20F5N3O/c1-25-12(10-7-16(18,19)8-10)11(9-3-2-4-9)13(24-25)23-14(26)15(5-6-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,24,26)
InChIKeyQEATWCAANMQUBA-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.48
Rot. Bonds4

About N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 169169846) has the molecular formula C17H20F5N3O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID169169846
Molecular FormulaC17H20F5N3O
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)C2(C(F)(F)F)CC2)c(C2CCC2)c1C1CC(F)(F)C1
InChIInChI=1S/C17H20F5N3O/c1-25-12(10-7-16(18,19)8-10)11(9-3-2-4-9)13(24-25)23-14(26)15(5-6-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,24,26)
InChIKeyQEATWCAANMQUBA-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-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 N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 169169846) is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cn1nc(NC(=O)C2(C(F)(F)F)CC2)c(C2CCC2)c1C1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is QEATWCAANMQUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O/c1-25-12(10-7-16(18,19)8-10)11(9-3-2-4-9)13(24-25)23-14(26)15(5-6-15)17(20,21)22/h9-10H,2-8H2,1H3,(H,23,24,26).
What are the key properties of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169169846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).