3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

C18H18N4O3S — CID 4652301

IUPAC3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NN=C(C)c3cccs3)[nH]n2)c1
InChIInChI=1S/C18H18N4O3S/c1-11(17-5-4-8-26-17)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-16(13)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyBGPYRYXORDEIEW-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.31
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 4652301) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID4652301
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NN=C(C)c3cccs3)[nH]n2)c1
InChIInChI=1S/C18H18N4O3S/c1-11(17-5-4-8-26-17)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-16(13)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyBGPYRYXORDEIEW-UHFFFAOYSA-N
XLogP3.31
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6273602
3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1386855
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5392068
3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124862464
3-(2,5-dimethoxyphenyl)-N-(1-hydroxy-3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 91822295

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (CID 4652301) is 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NN=C(C)c3cccs3)[nH]n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is BGPYRYXORDEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11(17-5-4-8-26-17)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-16(13)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4652301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).