[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol

C15H20N2O — CID 66436809

IUPAC[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O/c1-4-5-15-13(10-18)9-16-17(15)14-7-6-11(2)8-12(14)3/h6-9,18H,4-5,10H2,1-3H3
InChIKeyNYHWJUSCZWIASU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.93
Rot. Bonds4

About [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol

[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol (PubChem CID 66436809) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
PubChem CID66436809
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O/c1-4-5-15-13(10-18)9-16-17(15)14-7-6-11(2)8-12(14)3/h6-9,18H,4-5,10H2,1-3H3
InChIKeyNYHWJUSCZWIASU-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol (CID 66436809) is [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1-c1ccc(C)cc1C.
What is the InChIKey of [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol?
The InChIKey is NYHWJUSCZWIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-15-13(10-18)9-16-17(15)14-7-6-11(2)8-12(14)3/h6-9,18H,4-5,10H2,1-3H3.
What are the key properties of [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol?
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66436809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).