5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide

C16H19ClN4O2 — CID 3712361

IUPAC5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-9-6-5-7-10(2)14(9)19-12(22)8-18-16(23)13-11(3)20-21(4)15(13)17/h5-7H,8H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyFQYJRMVSXYDBHO-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 3712361) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID3712361
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-9-6-5-7-10(2)14(9)19-12(22)8-18-16(23)13-11(3)20-21(4)15(13)17/h5-7H,8H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyFQYJRMVSXYDBHO-UHFFFAOYSA-N
XLogP2.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 3712361) is 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FQYJRMVSXYDBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-9-6-5-7-10(2)14(9)19-12(22)8-18-16(23)13-11(3)20-21(4)15(13)17/h5-7H,8H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 3712361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).