4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole

C17H24N2O — CID 138379101

IUPAC4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(Cc2c(C)nn(C(C)C)c2C)cc1C
InChIInChI=1S/C17H24N2O/c1-11(2)19-14(5)16(13(4)18-19)10-15-7-8-17(20-6)12(3)9-15/h7-9,11H,10H2,1-6H3
InChIKeyJJQAZCOSQPUVFE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.99
Rot. Bonds4

About 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole

4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole (PubChem CID 138379101) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
PubChem CID138379101
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(Cc2c(C)nn(C(C)C)c2C)cc1C
InChIInChI=1S/C17H24N2O/c1-11(2)19-14(5)16(13(4)18-19)10-15-7-8-17(20-6)12(3)9-15/h7-9,11H,10H2,1-6H3
InChIKeyJJQAZCOSQPUVFE-UHFFFAOYSA-N
XLogP3.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 95475709
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
(3S,4S,5R,6S)-2-ethyl-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxyoxane-3,4,5-triol
CID 142139353
(2S,3R,4S,5S,6R)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10297005
(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 51597392
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
5-(bromomethyl)-2-[[4-(methoxymethoxy)-3-propan-2-ylphenyl]methyl]-1,3-dimethylbenzene
CID 66762412
1-[5-[(4-methoxy-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 82666669
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
(4-methoxy-3-methylphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 6942638
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 72933656

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole (CID 138379101) is 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole is COc1ccc(Cc2c(C)nn(C(C)C)c2C)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The InChIKey is JJQAZCOSQPUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)19-14(5)16(13(4)18-19)10-15-7-8-17(20-6)12(3)9-15/h7-9,11H,10H2,1-6H3.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole has a molecular weight of 272.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 138379101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).