(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

C14H16Cl2N2O — CID 106859533

IUPAC(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)7-11(10)15/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyHQNCGSDHGZEBFF-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.99
Rot. Bonds4

About (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 106859533) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID106859533
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)7-11(10)15/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyHQNCGSDHGZEBFF-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 106859533) is (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1ccc(C)cc1Cl.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is HQNCGSDHGZEBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)7-11(10)15/h4-5,7-8,14,19H,3,6H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 299.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 106859533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).