5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C16H17N3O2 — CID 65311338

IUPAC5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C#CCO)cc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C16H17N3O2/c1-11-5-6-13(4-3-7-20)8-15(11)16(21)17-9-14-10-18-19-12(14)2/h5-6,8,10,20H,7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyFUWGMSPTJSIXRI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.30
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 65311338) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID65311338
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C#CCO)cc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C16H17N3O2/c1-11-5-6-13(4-3-7-20)8-15(11)16(21)17-9-14-10-18-19-12(14)2/h5-6,8,10,20H,7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyFUWGMSPTJSIXRI-UHFFFAOYSA-N
XLogP1.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
2-hydroxy-3,5-diiodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896329
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 104547624
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103542950

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 65311338) is 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1ccc(C#CCO)cc1C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is FUWGMSPTJSIXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-6-13(4-3-7-20)8-15(11)16(21)17-9-14-10-18-19-12(14)2/h5-6,8,10,20H,7,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 65311338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).