3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H18ClN3O — CID 30186728

IUPAC3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-11(2)19-14(9-10-17-19)18-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,20)
InChIKeySIOIRHHEIYMLQX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30186728) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30186728
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-11(2)19-14(9-10-17-19)18-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,20)
InChIKeySIOIRHHEIYMLQX-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112793477
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30184017
N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 78848125
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18166272
4-(4-chlorophenyl)sulfanyl-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
CID 134021290
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
CID 30184302
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30186728) is 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is SIOIRHHEIYMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(2)19-14(9-10-17-19)18-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 291.78 g/mol, XLogP of 3.69, 5 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-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30186728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).