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

C14H16F3N3O2S — CID 74239330

IUPACN-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H16F3N3O2S/c1-9-3-4-10(23-9)8-20(5-6-22-2)13(21)11-7-12(19-18-11)14(15,16)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyYWGPBENYYHDKAE-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.09
Rot. Bonds6

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

N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 74239330) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID74239330
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H16F3N3O2S/c1-9-3-4-10(23-9)8-20(5-6-22-2)13(21)11-7-12(19-18-11)14(15,16)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyYWGPBENYYHDKAE-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 74239330) is N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is COCCN(Cc1ccc(C)s1)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YWGPBENYYHDKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-9-3-4-10(23-9)8-20(5-6-22-2)13(21)11-7-12(19-18-11)14(15,16)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74239330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).