N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide

C16H17N3O2 — CID 63333811

IUPACN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccn2)cc1C#CCO
InChIInChI=1S/C16H17N3O2/c1-13-5-6-15(12-14(13)4-2-11-20)18-16(21)7-10-19-9-3-8-17-19/h3,5-6,8-9,12,20H,7,10-11H2,1H3,(H,18,21)
InChIKeyJVDRZMWWZWDUEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.56
Rot. Bonds4

About N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide

N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 63333811) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
PubChem CID63333811
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccn2)cc1C#CCO
InChIInChI=1S/C16H17N3O2/c1-13-5-6-15(12-14(13)4-2-11-20)18-16(21)7-10-19-9-3-8-17-19/h3,5-6,8-9,12,20H,7,10-11H2,1H3,(H,18,21)
InChIKeyJVDRZMWWZWDUEI-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 60804474
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 103121264
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
CID 60803467
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide (CID 63333811) is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide is Cc1ccc(NC(=O)CCn2cccn2)cc1C#CCO.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is JVDRZMWWZWDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13-5-6-15(12-14(13)4-2-11-20)18-16(21)7-10-19-9-3-8-17-19/h3,5-6,8-9,12,20H,7,10-11H2,1H3,(H,18,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide?
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 63333811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).