3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

C12H15N3OS — CID 43581979

IUPAC3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-7(10-5-4-6-17-10)13-12(16)11-8(2)14-15-9(11)3/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyBVCFRHJGOWURPG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds3

About 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43581979) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID43581979
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-7(10-5-4-6-17-10)13-12(16)11-8(2)14-15-9(11)3/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyBVCFRHJGOWURPG-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 4882032
N-butyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405938
1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45805410
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 118740152
3-Amino-6-thiophen-2-yl-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 136026039
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 4808884
5-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 36172587
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45863233
5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 47292668
1-isopropyl-5-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675649

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (CID 43581979) is 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(C)c1cccs1.
What is the InChIKey of 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BVCFRHJGOWURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7(10-5-4-6-17-10)13-12(16)11-8(2)14-15-9(11)3/h4-7H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43581979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).