5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C13H13N5O — CID 6897521

IUPAC5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H13N5O/c19-13(12-7-11(16-17-12)9-4-5-9)18-15-8-10-3-1-2-6-14-10/h1-3,6-9H,4-5H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyXDRKYEOHGVUZQQ-OVCLIPMQSA-N
MW255.28 g/mol
LogP1.45
Rot. Bonds4

About 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6897521) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6897521
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H13N5O/c19-13(12-7-11(16-17-12)9-4-5-9)18-15-8-10-3-1-2-6-14-10/h1-3,6-9H,4-5H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyXDRKYEOHGVUZQQ-OVCLIPMQSA-N
XLogP1.45
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.45
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-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6897521) is 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccccn1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is XDRKYEOHGVUZQQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13(12-7-11(16-17-12)9-4-5-9)18-15-8-10-3-1-2-6-14-10/h1-3,6-9H,4-5H2,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6897521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).