1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C15H19ClN2O3 — CID 103006173

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCc2ccnn2C)c(Cl)c1OC
InChIInChI=1S/C15H19ClN2O3/c1-18-10(8-9-17-18)4-6-12(19)11-5-7-13(20-2)15(21-3)14(11)16/h5,7-9,12,19H,4,6H2,1-3H3
InChIKeyAOKWGWMVRNUXMV-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103006173) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103006173
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCc2ccnn2C)c(Cl)c1OC
InChIInChI=1S/C15H19ClN2O3/c1-18-10(8-9-17-18)4-6-12(19)11-5-7-13(20-2)15(21-3)14(11)16/h5,7-9,12,19H,4,6H2,1-3H3
InChIKeyAOKWGWMVRNUXMV-UHFFFAOYSA-N
XLogP2.76
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 106790862
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030726
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103006173) is 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is COc1ccc(C(O)CCc2ccnn2C)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is AOKWGWMVRNUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-18-10(8-9-17-18)4-6-12(19)11-5-7-13(20-2)15(21-3)14(11)16/h5,7-9,12,19H,4,6H2,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 310.78 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103006173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).