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

C18H21N3O2S2 — CID 74237176

IUPACN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C18H21N3O2S2/c1-12-4-6-14(24-12)11-21(8-9-23-3)18(22)16-10-15(19-20-16)17-7-5-13(2)25-17/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyIOESORQSUOOREG-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.11
Rot. Bonds7

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

N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 74237176) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID74237176
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C18H21N3O2S2/c1-12-4-6-14(24-12)11-21(8-9-23-3)18(22)16-10-15(19-20-16)17-7-5-13(2)25-17/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyIOESORQSUOOREG-UHFFFAOYSA-N
XLogP4.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 74237176) is N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is COCCN(Cc1ccc(C)s1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is IOESORQSUOOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-12-4-6-14(24-12)11-21(8-9-23-3)18(22)16-10-15(19-20-16)17-7-5-13(2)25-17/h4-7,10H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74237176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).