N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H16N4O2S — CID 5395124

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C17H16N4O2S/c1-11(12-5-7-13(23-2)8-6-12)18-21-17(22)15-10-14(19-20-15)16-4-3-9-24-16/h3-10H,1-2H3,(H,19,20)(H,21,22)/b18-11-
InChIKeyUAVDGNYEMFOZMU-WQRHYEAKSA-N
MW340.41 g/mol
LogP3.30
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 5395124) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID5395124
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C17H16N4O2S/c1-11(12-5-7-13(23-2)8-6-12)18-21-17(22)15-10-14(19-20-15)16-4-3-9-24-16/h3-10H,1-2H3,(H,19,20)(H,21,22)/b18-11-
InChIKeyUAVDGNYEMFOZMU-WQRHYEAKSA-N
XLogP3.30
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.30
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-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5392068
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
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
5-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 3385609
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
5-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1185019
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6106656

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 5395124) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(/C(C)=N\NC(=O)c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UAVDGNYEMFOZMU-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(12-5-7-13(23-2)8-6-12)18-21-17(22)15-10-14(19-20-15)16-4-3-9-24-16/h3-10H,1-2H3,(H,19,20)(H,21,22)/b18-11-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5395124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).