4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide

C15H20N4O2 — CID 79569429

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESCc1c(CNc2ccc(C(=O)NCCO)cc2)cnn1C
InChIInChI=1S/C15H20N4O2/c1-11-13(10-18-19(11)2)9-17-14-5-3-12(4-6-14)15(21)16-7-8-20/h3-6,10,17,20H,7-9H2,1-2H3,(H,16,21)
InChIKeyXEJVMMLCFNTKAM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.06
Rot. Bonds6

About 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide

4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 79569429) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID79569429
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESCc1c(CNc2ccc(C(=O)NCCO)cc2)cnn1C
InChIInChI=1S/C15H20N4O2/c1-11-13(10-18-19(11)2)9-17-14-5-3-12(4-6-14)15(21)16-7-8-20/h3-6,10,17,20H,7-9H2,1-2H3,(H,16,21)
InChIKeyXEJVMMLCFNTKAM-UHFFFAOYSA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 44591258
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 79569429) is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide is Cc1c(CNc2ccc(C(=O)NCCO)cc2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is XEJVMMLCFNTKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-13(10-18-19(11)2)9-17-14-5-3-12(4-6-14)15(21)16-7-8-20/h3-6,10,17,20H,7-9H2,1-2H3,(H,16,21).
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 79569429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).