5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide

C13H14N4OS — CID 5421124

IUPAC5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1cccs1
InChIInChI=1S/C13H14N4OS/c1-8(12-3-2-6-19-12)14-17-13(18)11-7-10(15-16-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H,17,18)/b14-8-
InChIKeyFVWWCDFTUVZMAB-ZSOIEALJSA-N
MW274.35 g/mol
LogP2.50
Rot. Bonds4

About 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5421124) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5421124
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1cccs1
InChIInChI=1S/C13H14N4OS/c1-8(12-3-2-6-19-12)14-17-13(18)11-7-10(15-16-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H,17,18)/b14-8-
InChIKeyFVWWCDFTUVZMAB-ZSOIEALJSA-N
XLogP2.50
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.50
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-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 5421124) is 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1cccs1.
What is the InChIKey of 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is FVWWCDFTUVZMAB-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8(12-3-2-6-19-12)14-17-13(18)11-7-10(15-16-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H,17,18)/b14-8-.
What are the key properties of 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5421124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).