3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide

C14H16ClN3O — CID 35532133

IUPAC3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18(2)17-10)16-14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19)
InChIKeyMELKAYHXZLDBGU-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.95
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide

3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 35532133) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID35532133
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18(2)17-10)16-14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19)
InChIKeyMELKAYHXZLDBGU-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide (CID 35532133) is 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is MELKAYHXZLDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-9-13(18(2)17-10)16-14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide?
3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 277.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 35532133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).