N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H14N4OS — CID 4024773

IUPACN-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKLLJFSMDAWYCLK-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.29
Rot. Bonds4

About N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 4024773) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID4024773
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKLLJFSMDAWYCLK-UHFFFAOYSA-N
XLogP3.29
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.29
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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Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5392068
N-[1-(3-nitrophenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 1185045
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4298296
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6891374
4-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 761739
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6890728
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[(Z)-naphthalen-1-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395131
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 696745

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 4024773) is N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KLLJFSMDAWYCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4024773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).