3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide

C18H17F2N3O2 — CID 10193550

IUPAC3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CO)c1ccccc1
InChIInChI=1S/C18H17F2N3O2/c1-21-17(25)23-18(11-24,12-5-3-2-4-6-12)10-16(22-23)14-9-13(19)7-8-15(14)20/h2-9,24H,10-11H2,1H3,(H,21,25)
InChIKeyRVJWHYWBFQXTCP-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.60
Rot. Bonds3

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

3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 10193550) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID10193550
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CO)c1ccccc1
InChIInChI=1S/C18H17F2N3O2/c1-21-17(25)23-18(11-24,12-5-3-2-4-6-12)10-16(22-23)14-9-13(19)7-8-15(14)20/h2-9,24H,10-11H2,1H3,(H,21,25)
InChIKeyRVJWHYWBFQXTCP-UHFFFAOYSA-N
XLogP2.60
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diaryl-4,5-dihydropyrazole, 8b
CID 10308676
3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901501
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
azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone
CID 10126702
3-(2,5-difluorophenyl)-5-ethyl-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 10172194
1-[(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 57577509
[1-Acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]methanol
CID 57975500
3-(2,5-difluorophenyl)-5-(3-hydroxy-3-phenylpropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 59347711
3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 59347720
3-[3-(2,5-difluorophenyl)-1-(morpholin-4-ylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]propan-1-ol
CID 68718081
(5S)-3-(2,5-difluorophenyl)-N-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 118565799

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide (CID 10193550) is 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide is CNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CO)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is RVJWHYWBFQXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-21-17(25)23-18(11-24,12-5-3-2-4-6-12)10-16(22-23)14-9-13(19)7-8-15(14)20/h2-9,24H,10-11H2,1H3,(H,21,25).
What are the key properties of 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10193550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).