5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide

C20H22N4O2 — CID 166237556

IUPAC5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(CO)Cc2cccnc2)c1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24-19(11-15-6-3-2-4-7-15)18(13-22-24)20(26)23-17(14-25)10-16-8-5-9-21-12-16/h2-9,12-13,17,25H,10-11,14H2,1H3,(H,23,26)
InChIKeyZXVZLQHTSQTOAS-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds7

About 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide

5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 166237556) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID166237556
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(CO)Cc2cccnc2)c1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24-19(11-15-6-3-2-4-7-15)18(13-22-24)20(26)23-17(14-25)10-16-8-5-9-21-12-16/h2-9,12-13,17,25H,10-11,14H2,1H3,(H,23,26)
InChIKeyZXVZLQHTSQTOAS-UHFFFAOYSA-N
XLogP1.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 166202894
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166216619
5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166233647
N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635182
5-benzyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 170040077
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
CID 110891716
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide (CID 166237556) is 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC(CO)Cc2cccnc2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZXVZLQHTSQTOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-19(11-15-6-3-2-4-7-15)18(13-22-24)20(26)23-17(14-25)10-16-8-5-9-21-12-16/h2-9,12-13,17,25H,10-11,14H2,1H3,(H,23,26).
What are the key properties of 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166237556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).