2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide

C15H19N3O — CID 51100840

IUPAC2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cnn(CC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)17-15(19)10-18-9-14(8-16-18)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyLRVPDPLSQWLCNV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide

2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 51100840) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID51100840
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cnn(CC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)17-15(19)10-18-9-14(8-16-18)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyLRVPDPLSQWLCNV-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide (CID 51100840) is 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide is Cc1ccc(-c2cnn(CC(=O)NC(C)C)c2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LRVPDPLSQWLCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)17-15(19)10-18-9-14(8-16-18)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51100840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).