N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide

C20H21N3O2 — CID 111429323

IUPACN-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(O)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(24)12-13-21-20(25)18-14-23(17-10-6-3-7-11-17)22-19(18)16-8-4-2-5-9-16/h2-11,14-15,24H,12-13H2,1H3,(H,21,25)
InChIKeyAZUSPMCYNWOYCE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds6

About N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide

N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 111429323) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID111429323
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(O)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(24)12-13-21-20(25)18-14-23(17-10-6-3-7-11-17)22-19(18)16-8-4-2-5-9-16/h2-11,14-15,24H,12-13H2,1H3,(H,21,25)
InChIKeyAZUSPMCYNWOYCE-UHFFFAOYSA-N
XLogP3.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide (CID 111429323) is N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide is CC(O)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is AZUSPMCYNWOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(24)12-13-21-20(25)18-14-23(17-10-6-3-7-11-17)22-19(18)16-8-4-2-5-9-16/h2-11,14-15,24H,12-13H2,1H3,(H,21,25).
What are the key properties of N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 111429323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).