5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide

C14H12N4O2S — CID 2044503

IUPAC5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccs1
InChIInChI=1S/C14H12N4O2S/c1-9(13-5-3-7-21-13)15-18-14(19)11-8-10(16-17-11)12-4-2-6-20-12/h2-8,15H,1H2,(H,16,17)(H,18,19)
InChIKeyIFFBAPXEFUECPF-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.64
Rot. Bonds5

About 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide

5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 2044503) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide
PubChem CID2044503
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccs1
InChIInChI=1S/C14H12N4O2S/c1-9(13-5-3-7-21-13)15-18-14(19)11-8-10(16-17-11)12-4-2-6-20-12/h2-8,15H,1H2,(H,16,17)(H,18,19)
InChIKeyIFFBAPXEFUECPF-UHFFFAOYSA-N
XLogP2.64
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-Furylmethylene)-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869531
N'-(1-(2-Furyl)ethylidene)-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 21157840
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
5-(5-chlorothiophen-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6866999
3-(5-Bromo-2-thienyl)-N'-(2-furylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6870055
(Z)-3-(5-bromothiophen-2-yl)-N'-(1-(furan-2-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5445717
N'-[(E)-furan-2-ylmethylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6862112
(Z)-3-(5-chlorothiophen-2-yl)-N'-(1-(furan-2-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5399805
5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
CID 3649375
(E)-3-(5-chlorothiophen-2-yl)-N'-(1-(furan-2-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 7232996
3-(5-Methyl-2-furyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 44723969
N-(2-(4-cyclopropyl-5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 71793357

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide (CID 2044503) is 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide is C=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccs1.
What is the InChIKey of 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is IFFBAPXEFUECPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9(13-5-3-7-21-13)15-18-14(19)11-8-10(16-17-11)12-4-2-6-20-12/h2-8,15H,1H2,(H,16,17)(H,18,19).
What are the key properties of 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide?
5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 300.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N'-(1-thiophen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 2044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).