3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide

C21H23F2N3O2 — CID 24901501

IUPAC3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28)
InChIKeyGUEBRLZPFWEFBT-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.77
Rot. Bonds6

About 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide

3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 24901501) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID24901501
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28)
InChIKeyGUEBRLZPFWEFBT-UHFFFAOYSA-N
XLogP3.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(2,5-Difluorophenyl)-5-(hydroxymethyl)-n-methyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10193550
4-[3-(2,5-difluorophenyl)-1-(ethylcarbamoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylbutanamine oxide
CID 10195027
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
3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901500
3-(2,5-difluorophenyl)-N-ethyl-5-(4-hydroxybutyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901502
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide (CID 24901501) is 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide is CCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is GUEBRLZPFWEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28).
What are the key properties of 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 24901501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).