2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H15N3O2 — CID 47375361

IUPAC2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O2/c1-9-3-4-12(17)11(5-9)13(18)14-6-10-7-15-16(2)8-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,18)
InChIKeyQKCOZQIDSBVVSZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.36
Rot. Bonds3

About 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47375361) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47375361
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O2/c1-9-3-4-12(17)11(5-9)13(18)14-6-10-7-15-16(2)8-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,18)
InChIKeyQKCOZQIDSBVVSZ-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47375361) is 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1ccc(O)c(C(=O)NCc2cnn(C)c2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QKCOZQIDSBVVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-4-12(17)11(5-9)13(18)14-6-10-7-15-16(2)8-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,18).
What are the key properties of 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47375361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).