(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol

C15H20N2O — CID 116542830

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2cn(C)nc2C)c1
InChIInChI=1S/C15H20N2O/c1-4-6-12-7-5-8-13(9-12)15(18)14-10-17(3)16-11(14)2/h5,7-10,15,18H,4,6H2,1-3H3
InChIKeyLXUUREWPFXKPGF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.76
Rot. Bonds4

About (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol

(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol (PubChem CID 116542830) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
PubChem CID116542830
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2cn(C)nc2C)c1
InChIInChI=1S/C15H20N2O/c1-4-6-12-7-5-8-13(9-12)15(18)14-10-17(3)16-11(14)2/h5,7-10,15,18H,4,6H2,1-3H3
InChIKeyLXUUREWPFXKPGF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 83092098
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(3-propylphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103129271
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol (CID 116542830) is (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2cn(C)nc2C)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol?
The InChIKey is LXUUREWPFXKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-6-12-7-5-8-13(9-12)15(18)14-10-17(3)16-11(14)2/h5,7-10,15,18H,4,6H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol?
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol has a molecular weight of 244.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116542830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).