(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol

C12H14N2O — CID 114987801

IUPAC(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
SMILESCc1ccc(C)c(C(O)c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-9(2)10(7-8)12(15)11-5-6-13-14-11/h3-7,12,15H,1-2H3,(H,13,14)
InChIKeyQBKHTCSCCWJOJA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol

(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol (PubChem CID 114987801) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
PubChem CID114987801
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
SMILESCc1ccc(C)c(C(O)c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-9(2)10(7-8)12(15)11-5-6-13-14-11/h3-7,12,15H,1-2H3,(H,13,14)
InChIKeyQBKHTCSCCWJOJA-UHFFFAOYSA-N
XLogP2.11
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
(3-methylthiophen-2-yl)-(1H-pyrazol-5-yl)methanol
CID 114988227
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991164
(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541
(2,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 113230061
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol?
The IUPAC name of (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol (CID 114987801) is (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol?
The canonical SMILES for (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol is Cc1ccc(C)c(C(O)c2ccn[nH]2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol?
The InChIKey is QBKHTCSCCWJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-4-9(2)10(7-8)12(15)11-5-6-13-14-11/h3-7,12,15H,1-2H3,(H,13,14).
What are the key properties of (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol?
(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol has a molecular weight of 202.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 114987801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).