5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C14H10ClN5OS — CID 5392989

IUPAC5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C14H10ClN5OS/c15-13-4-3-12(22-13)10-6-11(19-18-10)14(21)20-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)(H,20,21)/b17-8-
InChIKeyGMCGFNQTPBLQEE-IUXPMGMMSA-N
MW331.79 g/mol
LogP2.95
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5392989) has the molecular formula C14H10ClN5OS and a molecular weight of 331.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5392989
Molecular FormulaC14H10ClN5OS
Molecular Weight331.79 g/mol
Exact Mass331.03
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C14H10ClN5OS/c15-13-4-3-12(22-13)10-6-11(19-18-10)14(21)20-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)(H,20,21)/b17-8-
InChIKeyGMCGFNQTPBLQEE-IUXPMGMMSA-N
XLogP2.95
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 52.95
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

3-(5-Chloro-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556890
3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
CID 6869553
3-(5-Bromo-2-thienyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869559
3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
(E)-3-(5-chlorothiophen-2-yl)-N'-(1-(pyridin-4-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5392692
5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978188
3-(5-Bromo-2-thienyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6863351
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889217
3-chloro-N'-(1H-pyrrol-2-ylmethylene)-1-benzothiophene-2-carbohydrazide
CID 135501760
3-(5-bromothiophen-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 6969476
3-(2-chlorophenyl)-N-(2-pyridylmethyleneamino)-1H-pyrazole-5-carboxamide
CID 9557107

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 5392989) is 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C\c1cccnc1)c1cc(-c2ccc(Cl)s2)[nH]n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is GMCGFNQTPBLQEE-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10ClN5OS/c15-13-4-3-12(22-13)10-6-11(19-18-10)14(21)20-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)(H,20,21)/b17-8-.
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 331.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).