N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide

C17H16N4O2S — CID 5057852

IUPACN'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccccc1O
InChIInChI=1S/C17H16N4O2S/c1-10-7-8-16(24-10)13-9-14(20-19-13)17(23)21-18-11(2)12-5-3-4-6-15(12)22/h3-9,18,22H,2H2,1H3,(H,19,20)(H,21,23)
InChIKeyDONANTUJWPYAOA-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.06
Rot. Bonds5

About N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide

N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide (PubChem CID 5057852) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide
PubChem CID5057852
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccccc1O
InChIInChI=1S/C17H16N4O2S/c1-10-7-8-16(24-10)13-9-14(20-19-13)17(23)21-18-11(2)12-5-3-4-6-15(12)22/h3-9,18,22H,2H2,1H3,(H,19,20)(H,21,23)
InChIKeyDONANTUJWPYAOA-UHFFFAOYSA-N
XLogP3.06
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide (CID 5057852) is N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide is C=C(NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccccc1O.
What is the InChIKey of N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is DONANTUJWPYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-7-8-16(24-10)13-9-14(20-19-13)17(23)21-18-11(2)12-5-3-4-6-15(12)22/h3-9,18,22H,2H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide?
N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 340.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 5057852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).