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

C12H14ClN3OS — CID 15943583

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2cccs2)c(C)c1Cl
InChIInChI=1S/C12H14ClN3OS/c1-8-11(13)9(2)16(15-8)6-5-14-12(17)10-4-3-7-18-10/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyIVNVOKVDNGYYQZ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.64
Rot. Bonds4

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 15943583) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID15943583
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2cccs2)c(C)c1Cl
InChIInChI=1S/C12H14ClN3OS/c1-8-11(13)9(2)16(15-8)6-5-14-12(17)10-4-3-7-18-10/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyIVNVOKVDNGYYQZ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (CID 15943583) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is Cc1nn(CCNC(=O)c2cccs2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IVNVOKVDNGYYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-11(13)9(2)16(15-8)6-5-14-12(17)10-4-3-7-18-10/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 15943583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).