2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide

C16H21N3O — CID 143908452

IUPAC2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(C)c1ccc(Cn2nccc2C(C)C(N)=O)cc1
InChIInChI=1S/C16H21N3O/c1-11(2)14-6-4-13(5-7-14)10-19-15(8-9-18-19)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20)
InChIKeyYMGXZSREUYRDPT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide

2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 143908452) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID143908452
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(C)c1ccc(Cn2nccc2C(C)C(N)=O)cc1
InChIInChI=1S/C16H21N3O/c1-11(2)14-6-4-13(5-7-14)10-19-15(8-9-18-19)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20)
InChIKeyYMGXZSREUYRDPT-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxylic acid
CID 62060762
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
1-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778930
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
1-[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727449
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
2-amino-3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]propanoic acid
CID 116735139
1-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 166228034
5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7385971
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]oxamide
CID 71907545
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide (CID 143908452) is 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide is CC(C)c1ccc(Cn2nccc2C(C)C(N)=O)cc1.
What is the InChIKey of 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is YMGXZSREUYRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)14-6-4-13(5-7-14)10-19-15(8-9-18-19)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20).
What are the key properties of 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide?
2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 143908452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).