3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide

C17H23N3O2 — CID 126810268

IUPAC3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2cccc(CO)c2)cnn1CCC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)7-8-20-13(3)16(10-18-20)19-17(22)15-6-4-5-14(9-15)11-21/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,19,22)
InChIKeyDIAYBXPLLMBELL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.98
Rot. Bonds6

About 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide

3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide (PubChem CID 126810268) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide
PubChem CID126810268
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2cccc(CO)c2)cnn1CCC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)7-8-20-13(3)16(10-18-20)19-17(22)15-6-4-5-14(9-15)11-21/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,19,22)
InChIKeyDIAYBXPLLMBELL-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
4-[[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341836
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339733
4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide (CID 126810268) is 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide is Cc1c(NC(=O)c2cccc(CO)c2)cnn1CCC(C)C.
What is the InChIKey of 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide?
The InChIKey is DIAYBXPLLMBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)7-8-20-13(3)16(10-18-20)19-17(22)15-6-4-5-14(9-15)11-21/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,19,22).
What are the key properties of 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide?
3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 126810268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).