(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol

C12H14N2O — CID 83392864

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol
SMILESCc1n[nH]c(C)c1C(O)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-8-11(9(2)14-13-8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3,(H,13,14)
InChIKeyRCJACQXEXYRXSQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol

(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol (PubChem CID 83392864) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol
PubChem CID83392864
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol
SMILESCc1n[nH]c(C)c1C(O)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-8-11(9(2)14-13-8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3,(H,13,14)
InChIKeyRCJACQXEXYRXSQ-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

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CID 135991588
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CID 2805406
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
1-(1H-indazol-3-yl)ethan-1-ol
CID 119095207
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
CID 2763727
1-(3,4-difluorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethanol
CID 53513996
4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
CID 118728006
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
phenyl(1H-pyrazol-5-yl)methanol
CID 3849411
6-(5-Methyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 135604546
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
phenyl(1H-pyrazol-4-yl)methanol
CID 3604291

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol (CID 83392864) is (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol is Cc1n[nH]c(C)c1C(O)c1ccccc1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol?
The InChIKey is RCJACQXEXYRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-11(9(2)14-13-8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3,(H,13,14).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol?
(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol 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 (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol is sourced from PubChem (CID 83392864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).