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

C12H15N3OS — CID 43582629

IUPAC3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1cccs1
InChIInChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)12(16)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCWWAHCHOXFPZCF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.06
Rot. Bonds4

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

3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582629) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582629
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1cccs1
InChIInChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)12(16)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCWWAHCHOXFPZCF-UHFFFAOYSA-N
XLogP2.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2-thiophenecarbohydrazide
CID 3830565
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
5,5-dioxo-N-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103959
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,N-dimethyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91904627
3-methyl-5-(2-thienyl)-1H-pyrazole-4-carbohydrazide
CID 2743400
5-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 36172587

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (CID 43582629) is 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCc1cccs1.
What is the InChIKey of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CWWAHCHOXFPZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)12(16)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).