5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C13H15N5O — CID 6872295

IUPAC5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N/N=C/c2ccncc2)c1C
InChIInChI=1S/C13H15N5O/c1-3-11-9(2)12(17-16-11)13(19)18-15-8-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyCOIKXASBPIEPOY-OVCLIPMQSA-N
MW257.30 g/mol
LogP1.44
Rot. Bonds4

About 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6872295) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6872295
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N/N=C/c2ccncc2)c1C
InChIInChI=1S/C13H15N5O/c1-3-11-9(2)12(17-16-11)13(19)18-15-8-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyCOIKXASBPIEPOY-OVCLIPMQSA-N
XLogP1.44
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6872295) is 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N/N=C/c2ccncc2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is COIKXASBPIEPOY-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-11-9(2)12(17-16-11)13(19)18-15-8-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6872295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).