N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide

C18H17N3O3 — CID 111116210

IUPACN-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3/c22-12-13-24-16-8-6-14(7-9-16)19-18(23)17-10-11-21(20-17)15-4-2-1-3-5-15/h1-11,22H,12-13H2,(H,19,23)
InChIKeyHMRJQIUDZZAENO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide

N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 111116210) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID111116210
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3/c22-12-13-24-16-8-6-14(7-9-16)19-18(23)17-10-11-21(20-17)15-4-2-1-3-5-15/h1-11,22H,12-13H2,(H,19,23)
InChIKeyHMRJQIUDZZAENO-UHFFFAOYSA-N
XLogP2.50
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
CID 82723479

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide (CID 111116210) is N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide is O=C(Nc1ccc(OCCO)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is HMRJQIUDZZAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-12-13-24-16-8-6-14(7-9-16)19-18(23)17-10-11-21(20-17)15-4-2-1-3-5-15/h1-11,22H,12-13H2,(H,19,23).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 111116210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).