N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide

C19H20N4O2 — CID 154834201

IUPACN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide
SMILESCc1ccccc1-n1nc(C)c(CNC(=O)c2cncc(O)c2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-6-4-5-7-18(12)23-14(3)17(13(2)22-23)11-21-19(25)15-8-16(24)10-20-9-15/h4-10,24H,11H2,1-3H3,(H,21,25)
InChIKeyLTTMTZIMFCVROT-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds4

About N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 154834201) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide
PubChem CID154834201
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide
SMILESCc1ccccc1-n1nc(C)c(CNC(=O)c2cncc(O)c2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-6-4-5-7-18(12)23-14(3)17(13(2)22-23)11-21-19(25)15-8-16(24)10-20-9-15/h4-10,24H,11H2,1-3H3,(H,21,25)
InChIKeyLTTMTZIMFCVROT-UHFFFAOYSA-N
XLogP2.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide (CID 154834201) is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide is Cc1ccccc1-n1nc(C)c(CNC(=O)c2cncc(O)c2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is LTTMTZIMFCVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-4-5-7-18(12)23-14(3)17(13(2)22-23)11-21-19(25)15-8-16(24)10-20-9-15/h4-10,24H,11H2,1-3H3,(H,21,25).
What are the key properties of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide?
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 154834201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).