N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H14N4O2S — CID 3941788

IUPACN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C=NNC(=O)c1cc(-c2cccs2)[nH]n1)=Cc1ccco1
InChIInChI=1S/C16H14N4O2S/c1-11(8-12-4-2-6-22-12)10-17-20-16(21)14-9-13(18-19-14)15-5-3-7-23-15/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyFBLBDLKRRIBLBG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.55
Rot. Bonds5

About N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 3941788) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID3941788
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C=NNC(=O)c1cc(-c2cccs2)[nH]n1)=Cc1ccco1
InChIInChI=1S/C16H14N4O2S/c1-11(8-12-4-2-6-22-12)10-17-20-16(21)14-9-13(18-19-14)15-5-3-7-23-15/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyFBLBDLKRRIBLBG-UHFFFAOYSA-N
XLogP3.55
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.55
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'-(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
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
3-(2-Ethoxyphenyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 9630783
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6866574
3-(3-Ethoxyphenyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 9608731
N'-(1-(4-Methoxyphenyl)ethylidene)3(5-ME-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 5912509
3-(2-Ethoxyphenyl)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6864978

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 3941788) is N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(C=NNC(=O)c1cc(-c2cccs2)[nH]n1)=Cc1ccco1.
What is the InChIKey of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FBLBDLKRRIBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11(8-12-4-2-6-22-12)10-17-20-16(21)14-9-13(18-19-14)15-5-3-7-23-15/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3941788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).