2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide

C21H20N6O2 — CID 46986305

IUPAC2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccc(CO)cc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C21H20N6O2/c1-15-10-20(27(25-15)19-4-2-3-9-22-19)24-21(29)13-26-12-18(11-23-26)17-7-5-16(14-28)6-8-17/h2-12,28H,13-14H2,1H3,(H,24,29)
InChIKeyDUDZNNCHRDOXDB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide

2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide (PubChem CID 46986305) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
PubChem CID46986305
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccc(CO)cc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C21H20N6O2/c1-15-10-20(27(25-15)19-4-2-3-9-22-19)24-21(29)13-26-12-18(11-23-26)17-7-5-16(14-28)6-8-17/h2-12,28H,13-14H2,1H3,(H,24,29)
InChIKeyDUDZNNCHRDOXDB-UHFFFAOYSA-N
XLogP2.57
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide 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

2-[4-(6-methoxy-3-pyridinyl)pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
CID 46997186
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
CID 46988638
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
CID 112807213
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
(2R)-2-methoxy-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylacetamide
CID 124616132
5-bromo-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 2999617
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide
CID 30898341
2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46998277
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
CID 112772631
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide
CID 56531397
N-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]acetamide
CID 31125709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide (CID 46986305) is 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(-c3ccc(CO)cc3)cn2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide?
The InChIKey is DUDZNNCHRDOXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15-10-20(27(25-15)19-4-2-3-9-22-19)24-21(29)13-26-12-18(11-23-26)17-7-5-16(14-28)6-8-17/h2-12,28H,13-14H2,1H3,(H,24,29).
What are the key properties of 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide?
2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46986305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).