5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

C19H19BrFN3O — CID 134140658

IUPAC5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H19BrFN3O/c1-12(2)22-19(25)24-18(14-5-9-16(21)10-6-14)11-17(23-24)13-3-7-15(20)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25)
InChIKeyPFELFOCPWCQJBE-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.86
Rot. Bonds3

About 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134140658) has the molecular formula C19H19BrFN3O and a molecular weight of 404.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134140658
Molecular FormulaC19H19BrFN3O
Molecular Weight404.28 g/mol
Exact Mass403.07
IUPAC Name5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H19BrFN3O/c1-12(2)22-19(25)24-18(14-5-9-16(21)10-6-14)11-17(23-24)13-3-7-15(20)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25)
InChIKeyPFELFOCPWCQJBE-UHFFFAOYSA-N
XLogP4.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 23586165
3,5-Diaryl-4,5-dihydropyrazole, 8b
CID 10308676
5-(3-Aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10309476
3-(2,5-Difluorophenyl)-5-[4-(dimethylamino)butyl]-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10310151
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 15604796
5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901503
5-(4-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901504
5-(3-Amino-propyl)-3-(2,5-difluoro-phenyl)-5-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid dimethylamide
CID 24901510
5-(4-Bromophenyl)-4,5-dihydro-N-methyl-3-(4-methylphenyl)-1H-pyrazole-1-carbothioamide
CID 2951965
5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2953403
3-(4-bromophenyl)-5-(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 3876755
3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901499

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (CID 134140658) is 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is CC(C)NC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PFELFOCPWCQJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O/c1-12(2)22-19(25)24-18(14-5-9-16(21)10-6-14)11-17(23-24)13-3-7-15(20)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25).
What are the key properties of 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 404.28 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134140658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).