5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide

C13H15N5O2 — CID 138017405

IUPAC5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(=O)[nH]n2)cc1C1CC1
InChIInChI=1S/C13H15N5O2/c1-2-18-10(8-3-4-8)7-9(17-18)13(20)14-11-5-6-12(19)16-15-11/h5-8H,2-4H2,1H3,(H,16,19)(H,14,15,20)
InChIKeyNKEXTMWTIVSXIT-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.12
Rot. Bonds4

About 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide

5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide (PubChem CID 138017405) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide
PubChem CID138017405
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(=O)[nH]n2)cc1C1CC1
InChIInChI=1S/C13H15N5O2/c1-2-18-10(8-3-4-8)7-9(17-18)13(20)14-11-5-6-12(19)16-15-11/h5-8H,2-4H2,1H3,(H,16,19)(H,14,15,20)
InChIKeyNKEXTMWTIVSXIT-UHFFFAOYSA-N
XLogP1.12
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide (CID 138017405) is 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc(=O)[nH]n2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide?
The InChIKey is NKEXTMWTIVSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-18-10(8-3-4-8)7-9(17-18)13(20)14-11-5-6-12(19)16-15-11/h5-8H,2-4H2,1H3,(H,16,19)(H,14,15,20).
What are the key properties of 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide?
5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138017405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).