(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol

C13H15ClN2O — CID 112742760

IUPAC(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1c(C)cnn1C
InChIInChI=1S/C13H15ClN2O/c1-8-4-5-10(14)6-11(8)13(17)12-9(2)7-15-16(12)3/h4-7,13,17H,1-3H3
InChIKeyONLLNRMUDIAZFJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.77
Rot. Bonds2

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

(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol (PubChem CID 112742760) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol
PubChem CID112742760
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1c(C)cnn1C
InChIInChI=1S/C13H15ClN2O/c1-8-4-5-10(14)6-11(8)13(17)12-9(2)7-15-16(12)3/h4-7,13,17H,1-3H3
InChIKeyONLLNRMUDIAZFJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 112742305
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The IUPAC name of (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol (CID 112742760) is (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The canonical SMILES for (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol is Cc1ccc(Cl)cc1C(O)c1c(C)cnn1C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The InChIKey is ONLLNRMUDIAZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-4-5-10(14)6-11(8)13(17)12-9(2)7-15-16(12)3/h4-7,13,17H,1-3H3.
What are the key properties of (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol has a molecular weight of 250.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol is sourced from PubChem (CID 112742760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).