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

C14H12N4OS2 — CID 5392068

IUPAC5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2cccs2)[nH]n1)c1cccs1
InChIInChI=1S/C14H12N4OS2/c1-9(12-4-2-6-20-12)15-18-14(19)11-8-10(16-17-11)13-5-3-7-21-13/h2-8H,1H3,(H,16,17)(H,18,19)/b15-9-
InChIKeyKJUWFGBABYASKN-DHDCSXOGSA-N
MW316.41 g/mol
LogP3.35
Rot. Bonds4

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

5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5392068) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5392068
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2cccs2)[nH]n1)c1cccs1
InChIInChI=1S/C14H12N4OS2/c1-9(12-4-2-6-20-12)15-18-14(19)11-8-10(16-17-11)13-5-3-7-21-13/h2-8H,1H3,(H,16,17)(H,18,19)/b15-9-
InChIKeyKJUWFGBABYASKN-DHDCSXOGSA-N
XLogP3.35
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4024773
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
N-[1-(3-nitrophenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 1185045
N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4298296
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
4-bromo-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982662
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 5392068) is 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(-c2cccs2)[nH]n1)c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is KJUWFGBABYASKN-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-9(12-4-2-6-20-12)15-18-14(19)11-8-10(16-17-11)13-5-3-7-21-13/h2-8H,1H3,(H,16,17)(H,18,19)/b15-9-.
What are the key properties of 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5392068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).