2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol

C15H20N2O — CID 82528554

IUPAC2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1ccc(-n2ncc(C(C)(C)O)c2C)c(C)c1
InChIInChI=1S/C15H20N2O/c1-10-6-7-14(11(2)8-10)17-12(3)13(9-16-17)15(4,5)18/h6-9,18H,1-5H3
InChIKeyPNMATEVVNHYAQY-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.02
Rot. Bonds2

About 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol

2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol (PubChem CID 82528554) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
PubChem CID82528554
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1ccc(-n2ncc(C(C)(C)O)c2C)c(C)c1
InChIInChI=1S/C15H20N2O/c1-10-6-7-14(11(2)8-10)17-12(3)13(9-16-17)15(4,5)18/h6-9,18H,1-5H3
InChIKeyPNMATEVVNHYAQY-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602
2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528117
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528206
2-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528188
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527591
5-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528550
N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82528562
4-(chloromethyl)-1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole
CID 66437277
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
5-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82528544

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol (CID 82528554) is 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol is Cc1ccc(-n2ncc(C(C)(C)O)c2C)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The InChIKey is PNMATEVVNHYAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-6-7-14(11(2)8-10)17-12(3)13(9-16-17)15(4,5)18/h6-9,18H,1-5H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 82528554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).