N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H16N4O2S — CID 4298296

IUPACN-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-13(11-5-7-12(22)8-6-11)18-21-17(23)15-10-14(19-20-15)16-4-3-9-24-16/h3-10,22H,2H2,1H3,(H,19,20)(H,21,23)
InChIKeyJPUDENUTSGZKOY-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 4298296) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID4298296
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-13(11-5-7-12(22)8-6-11)18-21-17(23)15-10-14(19-20-15)16-4-3-9-24-16/h3-10,22H,2H2,1H3,(H,19,20)(H,21,23)
InChIKeyJPUDENUTSGZKOY-UHFFFAOYSA-N
XLogP3.39
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5392068
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135788611
N-[(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2048137
4-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 761739
N-[1-(3-nitrophenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 1185045
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 4298296) is N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JPUDENUTSGZKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-13(11-5-7-12(22)8-6-11)18-21-17(23)15-10-14(19-20-15)16-4-3-9-24-16/h3-10,22H,2H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4298296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).