N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide

C11H10N4OS — CID 16952211

IUPACN-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C#N)nn1C
InChIInChI=1S/C11H10N4OS/c1-7-5-9(14-15(7)2)10(16)13-11-8(6-12)3-4-17-11/h3-5H,1-2H3,(H,13,16)
InChIKeyZUCUIIPXOLOFPA-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.91
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952211) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952211
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC NameN-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C#N)nn1C
InChIInChI=1S/C11H10N4OS/c1-7-5-9(14-15(7)2)10(16)13-11-8(6-12)3-4-17-11/h3-5H,1-2H3,(H,13,16)
InChIKeyZUCUIIPXOLOFPA-UHFFFAOYSA-N
XLogP1.91
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
(2,5-Dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56816514
1,3-dimethyl-N-(3-(methylcarbamoyl)thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 16952825
N-(3-cyanothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17144374
N-(3-cyano-2-thienyl)-1-methyl-5-pyrazolecarboxamide
CID 17144376
N-(3-cyanothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25843655
N-(3-cyano-2-thienyl)-1-ethyl-5-pyrazolecarboxamide
CID 25854597
1-ethyl-3-methyl-N-[3-(methylcarbamoyl)thiophen-2-yl]-1H-pyrazole-5-carboxamide
CID 25854632
N-(3-carbamoylthiophen-2-yl)-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 25855632
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)thiophene-3-carboxamide
CID 49670890
N-(3-cyano-5-ethylthiophen-2-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 132360159
N-(3-Cyano-4-ethyl-5-methyl-2-thienyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4766672

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 16952211) is N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2sccc2C#N)nn1C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZUCUIIPXOLOFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-7-5-9(14-15(7)2)10(16)13-11-8(6-12)3-4-17-11/h3-5H,1-2H3,(H,13,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).