2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C13H16N4O — CID 47126468

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccncc2)n1
InChIInChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-3-5-14-6-4-12/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyPSYUWTICWNSOOX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 47126468) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID47126468
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccncc2)n1
InChIInChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-3-5-14-6-4-12/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyPSYUWTICWNSOOX-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 6879191
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
CID 6889248
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 9557727
N-[2-(1,2-dimethyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145848
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 47126468) is 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1cc(C)n(CC(=O)NCc2ccncc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PSYUWTICWNSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-3-5-14-6-4-12/h3-7H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 47126468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).