(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

C14H16Cl2N2O2 — CID 114634463

IUPAC(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(20-3)7-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-8,14,19H,1-3H3
InChIKeyQXUPODOLHKFHHL-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.86
Rot. Bonds4

About (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 114634463) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID114634463
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(20-3)7-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-8,14,19H,1-3H3
InChIKeyQXUPODOLHKFHHL-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 105130353
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107978713
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (CID 114634463) is (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is COc1cnn(C(C)C)c1C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is QXUPODOLHKFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(20-3)7-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-8,14,19H,1-3H3.
What are the key properties of (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 315.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).