N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide

C20H22F3N3O — CID 169169802

IUPACN-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)C2(C(C)(F)F)CC2)c(C2CCC2)c1-c1ccccc1F
InChIInChI=1S/C20H22F3N3O/c1-19(22,23)20(10-11-20)18(27)24-17-15(12-6-5-7-12)16(26(2)25-17)13-8-3-4-9-14(13)21/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,24,25,27)
InChIKeyOCHDIWKJAFEHRG-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.87
Rot. Bonds5

About N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide

N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide (PubChem CID 169169802) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide
PubChem CID169169802
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)C2(C(C)(F)F)CC2)c(C2CCC2)c1-c1ccccc1F
InChIInChI=1S/C20H22F3N3O/c1-19(22,23)20(10-11-20)18(27)24-17-15(12-6-5-7-12)16(26(2)25-17)13-8-3-4-9-14(13)21/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,24,25,27)
InChIKeyOCHDIWKJAFEHRG-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169169846
(2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,3,3-trimethylbutanamide
CID 172633541
N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169454
N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 169169765
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
CID 169169856
1-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-[(1S)-3,3-difluorocyclopentyl]urea
CID 169169761
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633521
(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide
CID 172633624
(2S)-N-[4-cyclobutyl-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 172633618
(1S)-N-[5-(5-chlorothiophen-2-yl)-4-cyclobutyl-1-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169714
N-[4-cyclobutyl-1-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 176762814
N-[5-(1,2-benzoxazol-3-yl)-4-cyclobutyl-1-methylpyrazol-3-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633578

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide (CID 169169802) is N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide is Cn1nc(NC(=O)C2(C(C)(F)F)CC2)c(C2CCC2)c1-c1ccccc1F.
What is the InChIKey of N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is OCHDIWKJAFEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-19(22,23)20(10-11-20)18(27)24-17-15(12-6-5-7-12)16(26(2)25-17)13-8-3-4-9-14(13)21/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide?
N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169169802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).