1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide

C16H17N3OS — CID 51309233

IUPAC1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C16H17N3OS/c1-11-13-10-14(21-16(13)19(2)18-11)15(20)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyFYHSMNBTTJKCLZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds4

About 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51309233) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51309233
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C16H17N3OS/c1-11-13-10-14(21-16(13)19(2)18-11)15(20)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyFYHSMNBTTJKCLZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305037
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51313017
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 115649621
N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17457035
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51309233) is 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCCc3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FYHSMNBTTJKCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-13-10-14(21-16(13)19(2)18-11)15(20)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20).
What are the key properties of 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51309233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).