2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide

C13H14ClN3O — CID 151584015

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)(C(N)=O)n1cc(Cl)cn1
InChIInChI=1S/C13H14ClN3O/c1-13(12(15)18,17-9-11(14)8-16-17)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,15,18)
InChIKeyQHCBUEIARWASJO-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide

2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide (PubChem CID 151584015) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide
PubChem CID151584015
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)(C(N)=O)n1cc(Cl)cn1
InChIInChI=1S/C13H14ClN3O/c1-13(12(15)18,17-9-11(14)8-16-17)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,15,18)
InChIKeyQHCBUEIARWASJO-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide (CID 151584015) is 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)(C(N)=O)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide?
The InChIKey is QHCBUEIARWASJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-13(12(15)18,17-9-11(14)8-16-17)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,15,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide?
2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide has a molecular weight of 263.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 151584015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).