2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol

C15H19ClN2O2 — CID 103018870

IUPAC2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
SMILESCn1nccc1CCC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-18-12(7-9-17-18)6-8-15(10-19,11-20)13-4-2-3-5-14(13)16/h2-5,7,9,19-20H,6,8,10-11H2,1H3
InChIKeySRHOZJCAJORQGZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.93
Rot. Bonds6

About 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol

2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol (PubChem CID 103018870) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
PubChem CID103018870
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
SMILESCn1nccc1CCC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-18-12(7-9-17-18)6-8-15(10-19,11-20)13-4-2-3-5-14(13)16/h2-5,7,9,19-20H,6,8,10-11H2,1H3
InChIKeySRHOZJCAJORQGZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324290
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
CID 103006901
5-[3-(4-bromophenyl)-4-chloro-3-(chloromethyl)butyl]-1-methylpyrazole
CID 103018999
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol
CID 106734814
1-[2-(2-chlorophenyl)-2-methylpropyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956474
2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol (CID 103018870) is 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol is Cn1nccc1CCC(CO)(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol?
The InChIKey is SRHOZJCAJORQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-18-12(7-9-17-18)6-8-15(10-19,11-20)13-4-2-3-5-14(13)16/h2-5,7,9,19-20H,6,8,10-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol?
2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol has a molecular weight of 294.78 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 103018870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).