2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide

C13H15Cl2N3OS — CID 86930029

IUPAC2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H15Cl2N3OS/c1-7-9(8(2)18(3)17-7)4-5-16-13(19)10-6-11(14)20-12(10)15/h6H,4-5H2,1-3H3,(H,16,19)
InChIKeyAIRUIIDADBIUMY-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.38
Rot. Bonds4

About 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide (PubChem CID 86930029) has the molecular formula C13H15Cl2N3OS and a molecular weight of 332.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
PubChem CID86930029
Molecular FormulaC13H15Cl2N3OS
Molecular Weight332.26 g/mol
Exact Mass331.03
IUPAC Name2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H15Cl2N3OS/c1-7-9(8(2)18(3)17-7)4-5-16-13(19)10-6-11(14)20-12(10)15/h6H,4-5H2,1-3H3,(H,16,19)
InChIKeyAIRUIIDADBIUMY-UHFFFAOYSA-N
XLogP3.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
4-amino-5-chloro-2-methoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119731680
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 86847550
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959513
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
5-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86930030

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide (CID 86930029) is 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is AIRUIIDADBIUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3OS/c1-7-9(8(2)18(3)17-7)4-5-16-13(19)10-6-11(14)20-12(10)15/h6H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 332.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 86930029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).