N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide

C15H21N5O — CID 42244210

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C15H21N5O/c1-5-20-13(9-11(2)18-20)15(21)17-10-12-7-6-8-16-14(12)19(3)4/h6-9H,5,10H2,1-4H3,(H,17,21)
InChIKeyPIEAAYOXAAUPHK-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.60
Rot. Bonds5

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 42244210) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID42244210
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C15H21N5O/c1-5-20-13(9-11(2)18-20)15(21)17-10-12-7-6-8-16-14(12)19(3)4/h6-9H,5,10H2,1-4H3,(H,17,21)
InChIKeyPIEAAYOXAAUPHK-UHFFFAOYSA-N
XLogP1.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 42244210) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCc1cccnc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is PIEAAYOXAAUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-20-13(9-11(2)18-20)15(21)17-10-12-7-6-8-16-14(12)19(3)4/h6-9H,5,10H2,1-4H3,(H,17,21).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42244210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).