[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol

C15H16N4O — CID 175348065

IUPAC[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
SMILESCc1c(CO)cccc1-c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C15H16N4O/c1-10-11(9-20)4-3-5-13(10)15-6-14(17-18-15)12-7-16-19(2)8-12/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyIVJIMAXLIFOMLP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds3

About [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol

[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol (PubChem CID 175348065) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
PubChem CID175348065
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
SMILESCc1c(CO)cccc1-c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C15H16N4O/c1-10-11(9-20)4-3-5-13(10)15-6-14(17-18-15)12-7-16-19(2)8-12/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyIVJIMAXLIFOMLP-UHFFFAOYSA-N
XLogP2.28
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine
CID 175419786
5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
CID 135961807
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46961707
[2-(1-methylpyrazol-4-yl)-5-nitrophenyl]methanol
CID 58515578
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
(3-isoquinolin-6-yl-2-methylphenyl)methanol
CID 138748878
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
[2-methyl-3-(1,2-oxazol-3-yl)phenyl]methanol
CID 15172139

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol?
The IUPAC name of [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol (CID 175348065) is [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol is Cc1c(CO)cccc1-c1cc(-c2cnn(C)c2)n[nH]1.
What is the InChIKey of [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol?
The InChIKey is IVJIMAXLIFOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-11(9-20)4-3-5-13(10)15-6-14(17-18-15)12-7-16-19(2)8-12/h3-8,20H,9H2,1-2H3,(H,17,18).
What are the key properties of [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol?
[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol has a molecular weight of 268.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol is sourced from PubChem (CID 175348065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).