N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C17H13BrN4OS — CID 2529484

IUPACN-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cccs2)n1
InChIInChI=1S/C17H13BrN4OS/c18-13-5-1-2-6-14(13)20-17(23)12-11-22(9-4-8-19)21-16(12)15-7-3-10-24-15/h1-3,5-7,10-11H,4,9H2,(H,20,23)
InChIKeyRQYCLRNUSJUGKX-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.54
Rot. Bonds5

About N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2529484) has the molecular formula C17H13BrN4OS and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2529484
Molecular FormulaC17H13BrN4OS
Molecular Weight401.29 g/mol
Exact Mass400.00
IUPAC NameN-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cccs2)n1
InChIInChI=1S/C17H13BrN4OS/c18-13-5-1-2-6-14(13)20-17(23)12-11-22(9-4-8-19)21-16(12)15-7-3-10-24-15/h1-3,5-7,10-11H,4,9H2,(H,20,23)
InChIKeyRQYCLRNUSJUGKX-UHFFFAOYSA-N
XLogP4.54
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2967823
2-bromo-N-[(E)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6902054
4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 127049216
N,N-dimethyl-1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 976339
1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide
CID 2311632
N-[2-(diethylamino)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 9551906

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2529484) is N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cccs2)n1.
What is the InChIKey of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RQYCLRNUSJUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4OS/c18-13-5-1-2-6-14(13)20-17(23)12-11-22(9-4-8-19)21-16(12)15-7-3-10-24-15/h1-3,5-7,10-11H,4,9H2,(H,20,23).
What are the key properties of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2529484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).