N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C18H19N3O2S — CID 70730689

IUPACN-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C18H19N3O2S/c1-3-23-16-7-5-4-6-13(16)11-19-18(22)15-10-14(20-21-15)17-9-8-12(2)24-17/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZBPJGPCFFMJLCV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.78
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70730689) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70730689
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C18H19N3O2S/c1-3-23-16-7-5-4-6-13(16)11-19-18(22)15-10-14(20-21-15)17-9-8-12(2)24-17/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZBPJGPCFFMJLCV-UHFFFAOYSA-N
XLogP3.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 70730689) is N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is CCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZBPJGPCFFMJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-23-16-7-5-4-6-13(16)11-19-18(22)15-10-14(20-21-15)17-9-8-12(2)24-17/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70730689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).