N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H19N3OS — CID 55739896

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C18H19N3OS/c1-3-13-6-8-14(9-7-13)12-21(2)18(22)16-11-15(19-20-16)17-5-4-10-23-17/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyPBEKPXJCLVIOFC-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55739896) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55739896
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C18H19N3OS/c1-3-13-6-8-14(9-7-13)12-21(2)18(22)16-11-15(19-20-16)17-5-4-10-23-17/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyPBEKPXJCLVIOFC-UHFFFAOYSA-N
XLogP3.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55739694
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 109388243
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55954503
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 39628059
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 75435793
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55739896) is N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PBEKPXJCLVIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-13-6-8-14(9-7-13)12-21(2)18(22)16-11-15(19-20-16)17-5-4-10-23-17/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55739896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).