2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

C22H21F2N3O — CID 86903481

IUPAC2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)C3CC3c3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C22H21F2N3O/c1-13-8-14(2)27(26-13)12-15-4-3-5-17(9-15)25-22(28)19-11-18(19)16-6-7-20(23)21(24)10-16/h3-10,18-19H,11-12H2,1-2H3,(H,25,28)
InChIKeySHPRIDATJGLWCP-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.57
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 86903481) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID86903481
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)C3CC3c3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C22H21F2N3O/c1-13-8-14(2)27(26-13)12-15-4-3-5-17(9-15)25-22(28)19-11-18(19)16-6-7-20(23)21(24)10-16/h3-10,18-19H,11-12H2,1-2H3,(H,25,28)
InChIKeySHPRIDATJGLWCP-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86902338
(1R,2S,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773966
(1R,2R,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864826
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55711490
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 154832645
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902460
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 86903481) is 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)C3CC3c3ccc(F)c(F)c3)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is SHPRIDATJGLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-13-8-14(2)27(26-13)12-15-4-3-5-17(9-15)25-22(28)19-11-18(19)16-6-7-20(23)21(24)10-16/h3-10,18-19H,11-12H2,1-2H3,(H,25,28).
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86903481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).