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

C11H12ClN3OS — CID 33178943

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)s2)cnn1C
InChIInChI=1S/C11H12ClN3OS/c1-7-9(6-14-15(7)2)11(16)13-5-8-3-4-10(12)17-8/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyJFOYUZDJXNEOBA-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.37
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 33178943) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID33178943
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)s2)cnn1C
InChIInChI=1S/C11H12ClN3OS/c1-7-9(6-14-15(7)2)11(16)13-5-8-3-4-10(12)17-8/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyJFOYUZDJXNEOBA-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 33178943) is N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(Cl)s2)cnn1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JFOYUZDJXNEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7-9(6-14-15(7)2)11(16)13-5-8-3-4-10(12)17-8/h3-4,6H,5H2,1-2H3,(H,13,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 33178943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).