1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide

C12H14N4O — CID 3491502

IUPAC1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccnc2)c(C)n1
InChIInChI=1S/C12H14N4O/c1-3-16-8-11(9(2)15-16)12(17)14-10-5-4-6-13-7-10/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyGRYJMSHNDHNTFC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds3

About 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide

1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 3491502) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID3491502
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccnc2)c(C)n1
InChIInChI=1S/C12H14N4O/c1-3-16-8-11(9(2)15-16)12(17)14-10-5-4-6-13-7-10/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyGRYJMSHNDHNTFC-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide (CID 3491502) is 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccnc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is GRYJMSHNDHNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-16-8-11(9(2)15-16)12(17)14-10-5-4-6-13-7-10/h4-8H,3H2,1-2H3,(H,14,17).
What are the key properties of 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide?
1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 3491502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).