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

C11H12N4O2S — CID 17144361

IUPACN-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2sccc2C(N)=O)n1
InChIInChI=1S/C11H12N4O2S/c1-2-15-5-3-8(14-15)10(17)13-11-7(9(12)16)4-6-18-11/h3-6H,2H2,1H3,(H2,12,16)(H,13,17)
InChIKeyCAOSHDDIONHDEW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.32
Rot. Bonds4

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

N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 17144361) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID17144361
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2sccc2C(N)=O)n1
InChIInChI=1S/C11H12N4O2S/c1-2-15-5-3-8(14-15)10(17)13-11-7(9(12)16)4-6-18-11/h3-6H,2H2,1H3,(H2,12,16)(H,13,17)
InChIKeyCAOSHDDIONHDEW-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
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
1,3-dimethyl-N-(3-(methylcarbamoyl)thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 16952825
methyl 2-(1-ethyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 17144320
N-(3-carbamoylthiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144363
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
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

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide (CID 17144361) is N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2sccc2C(N)=O)n1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is CAOSHDDIONHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-15-5-3-8(14-15)10(17)13-11-7(9(12)16)4-6-18-11/h3-6H,2H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17144361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).