N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide

C11H10N4OS — CID 17144374

IUPACN-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C11H10N4OS/c1-2-15-5-3-9(14-15)10(16)13-11-8(7-12)4-6-17-11/h3-6H,2H2,1H3,(H,13,16)
InChIKeyQJDFHOZWHVKDQP-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.09
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide

N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 17144374) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID17144374
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC NameN-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C11H10N4OS/c1-2-15-5-3-9(14-15)10(16)13-11-8(7-12)4-6-17-11/h3-6H,2H2,1H3,(H,13,16)
InChIKeyQJDFHOZWHVKDQP-UHFFFAOYSA-N
XLogP2.09
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-3-carboxamide
CID 71808003
N-(3-cyanothiophen-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952211
N-(3-carbamoylthiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17144361
N-(3-carbamoylthiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144363
N-(3-cyano-2-thienyl)-1-methyl-5-pyrazolecarboxamide
CID 17144376
N-(3-cyanothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25843655
1-methyl-N-[3-(methylcarbamoyl)thiophen-2-yl]-1H-pyrazole-3-carboxamide
CID 25843657
N-(3-cyano-2-thienyl)-1-ethyl-5-pyrazolecarboxamide
CID 25854597
N-(3-carbamoyl-2-thienyl)-1-ethyl-5-pyrazolecarboxamide
CID 25854599
1-ethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]-1H-pyrazole-5-carboxamide
CID 25854600
N-(3-carbamoylthiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 42110951

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide (CID 17144374) is N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2sccc2C#N)n1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is QJDFHOZWHVKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-2-15-5-3-9(14-15)10(16)13-11-8(7-12)4-6-17-11/h3-6H,2H2,1H3,(H,13,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 2.09, 3 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-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17144374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).