cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane

C22H33F2N3O — CID 143209520

IUPACcyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
SMILESC1CC1.CC.CC.Cn1cc(C(=O)Nc2ccccc2C2CC2)c(C(F)F)n1
InChIInChI=1S/C15H15F2N3O.C3H6.2C2H6/c1-20-8-11(13(19-20)14(16)17)15(21)18-12-5-3-2-4-10(12)9-6-7-9;1-2-3-1;2*1-2/h2-5,8-9,14H,6-7H2,1H3,(H,18,21);1-3H2;2*1-2H3
InChIKeyRKTMVEUDDKYENB-UHFFFAOYSA-N
MW393.52 g/mol
LogP6.71
Rot. Bonds4

About cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane

cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane (PubChem CID 143209520) has the molecular formula C22H33F2N3O and a molecular weight of 393.52 g/mol. Its IUPAC name is cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane.

Molecular Properties

Compound Namecyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
PubChem CID143209520
Molecular FormulaC22H33F2N3O
Molecular Weight393.52 g/mol
Exact Mass393.26
IUPAC Namecyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
SMILESC1CC1.CC.CC.Cn1cc(C(=O)Nc2ccccc2C2CC2)c(C(F)F)n1
InChIInChI=1S/C15H15F2N3O.C3H6.2C2H6/c1-20-8-11(13(19-20)14(16)17)15(21)18-12-5-3-2-4-10(12)9-6-7-9;1-2-3-1;2*1-2/h2-5,8-9,14H,6-7H2,1H3,(H,18,21);1-3H2;2*1-2H3
InChIKeyRKTMVEUDDKYENB-UHFFFAOYSA-N
XLogP6.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
3-(difluoromethyl)-1-methyl-N-[(1R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
CID 71206075
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 51347655
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
CID 147725973
3-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
CID 150122085
N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141354776
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane?
The IUPAC name of cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane (CID 143209520) is cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane.
What is the SMILES notation for cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane?
The canonical SMILES for cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane is C1CC1.CC.CC.Cn1cc(C(=O)Nc2ccccc2C2CC2)c(C(F)F)n1.
What is the InChIKey of cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane?
The InChIKey is RKTMVEUDDKYENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O.C3H6.2C2H6/c1-20-8-11(13(19-20)14(16)17)15(21)18-12-5-3-2-4-10(12)9-6-7-9;1-2-3-1;2*1-2/h2-5,8-9,14H,6-7H2,1H3,(H,18,21);1-3H2;2*1-2H3.
What are the key properties of cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane?
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane has a molecular weight of 393.52 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane is sourced from PubChem (CID 143209520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).