3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C13H15N3O2 — CID 82829979

IUPAC3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C13H15N3O2/c1-9-11(4-3-5-12(9)17)13(18)16(2)8-10-6-14-15-7-10/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeySVPFRSQATWTSHC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds3

About 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide

3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 82829979) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID82829979
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C13H15N3O2/c1-9-11(4-3-5-12(9)17)13(18)16(2)8-10-6-14-15-7-10/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeySVPFRSQATWTSHC-UHFFFAOYSA-N
XLogP1.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81420879
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
N,2,4-trimethyl-N-(1H-pyrazol-4-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209196
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 82829979) is 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1c(O)cccc1C(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is SVPFRSQATWTSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(4-3-5-12(9)17)13(18)16(2)8-10-6-14-15-7-10/h3-7,17H,8H2,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 82829979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).