(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol

C16H22N2O — CID 116542679

IUPAC(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCc1c(C(O)c2cccc(CC(C)C)c2)cnn1C
InChIInChI=1S/C16H22N2O/c1-11(2)8-13-6-5-7-14(9-13)16(19)15-10-17-18(4)12(15)3/h5-7,9-11,16,19H,8H2,1-4H3
InChIKeyNVGIIBNMSFGJCZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol

(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 116542679) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID116542679
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCc1c(C(O)c2cccc(CC(C)C)c2)cnn1C
InChIInChI=1S/C16H22N2O/c1-11(2)8-13-6-5-7-14(9-13)16(19)15-10-17-18(4)12(15)3/h5-7,9-11,16,19H,8H2,1-4H3
InChIKeyNVGIIBNMSFGJCZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(2-methoxy-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 106790968
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131164
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838226
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
CID 79583614

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol (CID 116542679) is (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol is Cc1c(C(O)c2cccc(CC(C)C)c2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is NVGIIBNMSFGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)8-13-6-5-7-14(9-13)16(19)15-10-17-18(4)12(15)3/h5-7,9-11,16,19H,8H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol?
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 258.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 116542679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).