N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H18F3N3O — CID 39390008

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C21H18F3N3O/c1-26(12-13-9-10-14(22)11-17(13)24)21(28)20-15-5-4-8-18(15)27(25-20)19-7-3-2-6-16(19)23/h2-3,6-7,9-11H,4-5,8,12H2,1H3
InChIKeyIDFMNAWQKJAOBL-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.05
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 39390008) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID39390008
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C21H18F3N3O/c1-26(12-13-9-10-14(22)11-17(13)24)21(28)20-15-5-4-8-18(15)27(25-20)19-7-3-2-6-16(19)23/h2-3,6-7,9-11H,4-5,8,12H2,1H3
InChIKeyIDFMNAWQKJAOBL-UHFFFAOYSA-N
XLogP4.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110890136
1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167839262
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 97052638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55689902
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119550102
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207081
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17498296
4-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]butanoic acid
CID 122107128
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 39390008) is N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IDFMNAWQKJAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-26(12-13-9-10-14(22)11-17(13)24)21(28)20-15-5-4-8-18(15)27(25-20)19-7-3-2-6-16(19)23/h2-3,6-7,9-11H,4-5,8,12H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 39390008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).