5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C20H23N5O — CID 118738384

IUPAC5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)N(C)CCc3ccccn3)c2N)c1
InChIInChI=1S/C20H23N5O/c1-14-7-8-15(2)18(12-14)25-19(21)17(13-23-25)20(26)24(3)11-9-16-6-4-5-10-22-16/h4-8,10,12-13H,9,11,21H2,1-3H3
InChIKeySRSHMSGKTIPNCL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.78
Rot. Bonds5

About 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 118738384) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID118738384
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)N(C)CCc3ccccn3)c2N)c1
InChIInChI=1S/C20H23N5O/c1-14-7-8-15(2)18(12-14)25-19(21)17(13-23-25)20(26)24(3)11-9-16-6-4-5-10-22-16/h4-8,10,12-13H,9,11,21H2,1-3H3
InChIKeySRSHMSGKTIPNCL-UHFFFAOYSA-N
XLogP2.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 118738384) is 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is Cc1ccc(C)c(-n2ncc(C(=O)N(C)CCc3ccccn3)c2N)c1.
What is the InChIKey of 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is SRSHMSGKTIPNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-7-8-15(2)18(12-14)25-19(21)17(13-23-25)20(26)24(3)11-9-16-6-4-5-10-22-16/h4-8,10,12-13H,9,11,21H2,1-3H3.
What are the key properties of 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dimethylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118738384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).