N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide

C18H17N3O3 — CID 111116155

IUPACN-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O3/c22-12-13-24-17-8-4-15(5-9-17)20-18(23)14-2-6-16(7-3-14)21-11-1-10-19-21/h1-11,22H,12-13H2,(H,20,23)
InChIKeyJMYMKPLXGCGEJG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide

N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide (PubChem CID 111116155) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
PubChem CID111116155
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O3/c22-12-13-24-17-8-4-15(5-9-17)20-18(23)14-2-6-16(7-3-14)21-11-1-10-19-21/h1-11,22H,12-13H2,(H,20,23)
InChIKeyJMYMKPLXGCGEJG-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-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide (CID 111116155) is N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide is O=C(Nc1ccc(OCCO)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is JMYMKPLXGCGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-12-13-24-17-8-4-15(5-9-17)20-18(23)14-2-6-16(7-3-14)21-11-1-10-19-21/h1-11,22H,12-13H2,(H,20,23).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide?
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide 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]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111116155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).