N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C19H18N4OS — CID 6867567

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C19H18N4OS/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+
InChIKeyJGMWAAYQBCBZBJ-TVXDCWTGSA-N
MW350.45 g/mol
LogP4.27
Rot. Bonds5

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6867567) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6867567
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C19H18N4OS/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+
InChIKeyJGMWAAYQBCBZBJ-TVXDCWTGSA-N
XLogP4.27
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 6867567) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is CC(/C=N/NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is JGMWAAYQBCBZBJ-TVXDCWTGSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).