3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide

C17H20ClN3O — CID 78807984

IUPAC3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H20ClN3O/c18-15-8-4-1-5-13(15)9-10-17(22)20-16-11-12-19-21(16)14-6-2-3-7-14/h1,4-5,8,11-12,14H,2-3,6-7,9-10H2,(H,20,22)
InChIKeyUIVGEABCPSCKBJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.22
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide

3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide (PubChem CID 78807984) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
PubChem CID78807984
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H20ClN3O/c18-15-8-4-1-5-13(15)9-10-17(22)20-16-11-12-19-21(16)14-6-2-3-7-14/h1,4-5,8,11-12,14H,2-3,6-7,9-10H2,(H,20,22)
InChIKeyUIVGEABCPSCKBJ-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide (CID 78807984) is 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide is O=C(CCc1ccccc1Cl)Nc1ccnn1C1CCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide?
The InChIKey is UIVGEABCPSCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-8-4-1-5-13(15)9-10-17(22)20-16-11-12-19-21(16)14-6-2-3-7-14/h1,4-5,8,11-12,14H,2-3,6-7,9-10H2,(H,20,22).
What are the key properties of 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide?
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide is sourced from PubChem (CID 78807984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).