1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide

C15H21N5O — CID 80636556

IUPAC1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCNCc1cnc(-n2ccc(C(=O)N(C)C)n2)c(C)c1
InChIInChI=1S/C15H21N5O/c1-5-16-9-12-8-11(2)14(17-10-12)20-7-6-13(18-20)15(21)19(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyGUQPNPZCHRBWIL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.39
Rot. Bonds5

About 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide

1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80636556) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80636556
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCNCc1cnc(-n2ccc(C(=O)N(C)C)n2)c(C)c1
InChIInChI=1S/C15H21N5O/c1-5-16-9-12-8-11(2)14(17-10-12)20-7-6-13(18-20)15(21)19(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyGUQPNPZCHRBWIL-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80636555
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 80637553
1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 104507196
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635931
N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636183
N-[[5-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636117
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
N,N-dimethyl-1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80843200
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635625
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide (CID 80636556) is 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide is CCNCc1cnc(-n2ccc(C(=O)N(C)C)n2)c(C)c1.
What is the InChIKey of 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is GUQPNPZCHRBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-16-9-12-8-11(2)14(17-10-12)20-7-6-13(18-20)15(21)19(3)4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80636556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).