N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide

C13H15N3O2 — CID 43418766

IUPACN-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
SMILESCC(CO)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H15N3O2/c1-10(9-17)15-13(18)11-3-5-12(6-4-11)16-8-2-7-14-16/h2-8,10,17H,9H2,1H3,(H,15,18)
InChIKeyGAXKFBDAELLEOF-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.98
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide

N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 43418766) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
PubChem CID43418766
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
SMILESCC(CO)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H15N3O2/c1-10(9-17)15-13(18)11-3-5-12(6-4-11)16-8-2-7-14-16/h2-8,10,17H,9H2,1H3,(H,15,18)
InChIKeyGAXKFBDAELLEOF-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
3-methyl-3-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 64671459
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide (CID 43418766) is N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide is CC(CO)NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is GAXKFBDAELLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(9-17)15-13(18)11-3-5-12(6-4-11)16-8-2-7-14-16/h2-8,10,17H,9H2,1H3,(H,15,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide?
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 43418766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).