4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide

C13H17N5O — CID 114931708

IUPAC4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(C)cc(C)n2)n1
InChIInChI=1S/C13H17N5O/c1-4-18-7-10(14)12(17-18)13(19)16-11-6-8(2)5-9(3)15-11/h5-7H,4,14H2,1-3H3,(H,15,16,19)
InChIKeyAABUDAHPTLRVFA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds3

About 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 114931708) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
PubChem CID114931708
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(C)cc(C)n2)n1
InChIInChI=1S/C13H17N5O/c1-4-18-7-10(14)12(17-18)13(19)16-11-6-8(2)5-9(3)15-11/h5-7H,4,14H2,1-3H3,(H,15,16,19)
InChIKeyAABUDAHPTLRVFA-UHFFFAOYSA-N
XLogP1.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide (CID 114931708) is 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cc(C)cc(C)n2)n1.
What is the InChIKey of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is AABUDAHPTLRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-18-7-10(14)12(17-18)13(19)16-11-6-8(2)5-9(3)15-11/h5-7H,4,14H2,1-3H3,(H,15,16,19).
What are the key properties of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 114931708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).