2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide

C13H17N5O — CID 106934214

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
SMILESCc1nn(CC(=O)N(C)c2ccncc2)c(C)c1N
InChIInChI=1S/C13H17N5O/c1-9-13(14)10(2)18(16-9)8-12(19)17(3)11-4-6-15-7-5-11/h4-7H,8,14H2,1-3H3
InChIKeyNMDPAMVMANFERB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.14
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide (PubChem CID 106934214) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
PubChem CID106934214
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
SMILESCc1nn(CC(=O)N(C)c2ccncc2)c(C)c1N
InChIInChI=1S/C13H17N5O/c1-9-13(14)10(2)18(16-9)8-12(19)17(3)11-4-6-15-7-5-11/h4-7H,8,14H2,1-3H3
InChIKeyNMDPAMVMANFERB-UHFFFAOYSA-N
XLogP1.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 61237766
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43574064
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine
CID 60892840
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112656429
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79384572
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61105427
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 61443783
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide (CID 106934214) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide is Cc1nn(CC(=O)N(C)c2ccncc2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide?
The InChIKey is NMDPAMVMANFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-13(14)10(2)18(16-9)8-12(19)17(3)11-4-6-15-7-5-11/h4-7H,8,14H2,1-3H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 106934214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).