2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol

C14H16N2O — CID 105485759

IUPAC2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1CCCC2
InChIInChI=1S/C14H16N2O/c1-10-11-6-2-3-7-12(11)16(15-10)13-8-4-5-9-14(13)17/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyFRHXQGXBDDFUIK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.77
Rot. Bonds1

About 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol

2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol (PubChem CID 105485759) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol.

Molecular Properties

Compound Name2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
PubChem CID105485759
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1CCCC2
InChIInChI=1S/C14H16N2O/c1-10-11-6-2-3-7-12(11)16(15-10)13-8-4-5-9-14(13)17/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyFRHXQGXBDDFUIK-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
CID 105480725
2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
CID 105491379
2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
CID 83861535
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008
1-(6-benzylsulfanylpyrimidin-4-yl)-3-methyl-4,5,6,7-tetrahydroindazole
CID 95918723
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
CID 105486767
1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 121292185
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16778003
2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105482916
2-(5-acetyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82588802

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol?
The IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol (CID 105485759) is 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol.
What is the SMILES notation for 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol?
The canonical SMILES for 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol is Cc1nn(-c2ccccc2O)c2c1CCCC2.
What is the InChIKey of 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol?
The InChIKey is FRHXQGXBDDFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-11-6-2-3-7-12(11)16(15-10)13-8-4-5-9-14(13)17/h4-5,8-9,17H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol?
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol has a molecular weight of 228.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol is sourced from PubChem (CID 105485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).