N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide

C14H17N3O2 — CID 65031869

IUPACN-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
SMILESCC(CO)CNC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(10-18)9-15-14(19)12-3-5-13(6-4-12)17-8-2-7-16-17/h2-8,11,18H,9-10H2,1H3,(H,15,19)
InChIKeyUNIBGVFXVUUPCR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.23
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide

N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide (PubChem CID 65031869) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
PubChem CID65031869
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
SMILESCC(CO)CNC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(10-18)9-15-14(19)12-3-5-13(6-4-12)17-8-2-7-16-17/h2-8,11,18H,9-10H2,1H3,(H,15,19)
InChIKeyUNIBGVFXVUUPCR-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 103767403

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide (CID 65031869) is N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide is CC(CO)CNC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is UNIBGVFXVUUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(10-18)9-15-14(19)12-3-5-13(6-4-12)17-8-2-7-16-17/h2-8,11,18H,9-10H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide?
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 65031869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).