N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide

C12H14ClN3OS — CID 47226856

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(Cl)s2)cnn1C
InChIInChI=1S/C12H14ClN3OS/c1-8-10(7-15-16(8)2)12(17)14-6-5-9-3-4-11(13)18-9/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyPIPZGNYVOQJZAW-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 47226856) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID47226856
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(Cl)s2)cnn1C
InChIInChI=1S/C12H14ClN3OS/c1-8-10(7-15-16(8)2)12(17)14-6-5-9-3-4-11(13)18-9/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyPIPZGNYVOQJZAW-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide (CID 47226856) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCc2ccc(Cl)s2)cnn1C.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PIPZGNYVOQJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-10(7-15-16(8)2)12(17)14-6-5-9-3-4-11(13)18-9/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47226856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).