4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide

C14H16ClN3O — CID 832057

IUPAC4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-4-18-10(3)13(9(2)17-18)16-14(19)11-5-7-12(15)8-6-11/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyRYIHQSMSVIAQKB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide

4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide (PubChem CID 832057) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
PubChem CID832057
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-4-18-10(3)13(9(2)17-18)16-14(19)11-5-7-12(15)8-6-11/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyRYIHQSMSVIAQKB-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide (CID 832057) is 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide is CCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?
The InChIKey is RYIHQSMSVIAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-18-10(3)13(9(2)17-18)16-14(19)11-5-7-12(15)8-6-11/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide?
4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide has a molecular weight of 277.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 832057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).