1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C16H21ClN2O — CID 107562206

IUPAC1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C16H21ClN2O/c1-10-5-6-13(9-15(10)17)16(20)8-7-14-11(2)18-19(4)12(14)3/h5-6,9,16,20H,7-8H2,1-4H3
InChIKeyGVESRKURZLDICL-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 107562206) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID107562206
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C16H21ClN2O/c1-10-5-6-13(9-15(10)17)16(20)8-7-14-11(2)18-19(4)12(14)3/h5-6,9,16,20H,7-8H2,1-4H3
InChIKeyGVESRKURZLDICL-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
1-(5-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105121224
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168
[1-(4-fluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105302658
3-(3-chloro-4-methylphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53086252
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
CID 105110499
[1-(2,3-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105301729
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 107562206) is 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is Cc1ccc(C(O)CCc2c(C)nn(C)c2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is GVESRKURZLDICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10-5-6-13(9-15(10)17)16(20)8-7-14-11(2)18-19(4)12(14)3/h5-6,9,16,20H,7-8H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 292.81 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 107562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).