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

C20H21F2N3O2 — CID 24901500

IUPAC3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCO)c1ccccc1
InChIInChI=1S/C20H21F2N3O2/c1-2-23-19(27)25-20(10-11-26,14-6-4-3-5-7-14)13-18(24-25)16-12-15(21)8-9-17(16)22/h3-9,12,26H,2,10-11,13H2,1H3,(H,23,27)
InChIKeySGPBCFRSJZPAQO-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.38
Rot. Bonds5

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

3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 24901500) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID24901500
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCO)c1ccccc1
InChIInChI=1S/C20H21F2N3O2/c1-2-23-19(27)25-20(10-11-26,14-6-4-3-5-7-14)13-18(24-25)16-12-15(21)8-9-17(16)22/h3-9,12,26H,2,10-11,13H2,1H3,(H,23,27)
InChIKeySGPBCFRSJZPAQO-UHFFFAOYSA-N
XLogP3.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.38
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
5-[4-(Benzylamino)butyl]-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10195768
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
3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901501
(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-(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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide (CID 24901500) is 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide is CCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCO)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is SGPBCFRSJZPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-2-23-19(27)25-20(10-11-26,14-6-4-3-5-7-14)13-18(24-25)16-12-15(21)8-9-17(16)22/h3-9,12,26H,2,10-11,13H2,1H3,(H,23,27).
What are the key properties of 3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.38, 5 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-(2-hydroxyethyl)-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 24901500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).