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

C15H19N3O2 — CID 103872854

IUPAC4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1cc(O)ccc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H19N3O2/c1-10-8-13(19)5-6-14(10)15(20)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBYBOLPGUUFMHRB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds5

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

4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 103872854) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID103872854
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1cc(O)ccc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H19N3O2/c1-10-8-13(19)5-6-14(10)15(20)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBYBOLPGUUFMHRB-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 103872854) is 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1cc(O)ccc1C(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is BYBOLPGUUFMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-13(19)5-6-14(10)15(20)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 103872854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).