2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol

C14H17N3O — CID 66489494

IUPAC2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol
SMILESCc1[nH]nc2c1C(N)CC(c1ccccc1O)C2
InChIInChI=1S/C14H17N3O/c1-8-14-11(15)6-9(7-12(14)17-16-8)10-4-2-3-5-13(10)18/h2-5,9,11,18H,6-7,15H2,1H3,(H,16,17)
InChIKeyYYVLOIDHCYNDKC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol

2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol (PubChem CID 66489494) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol.

Molecular Properties

Compound Name2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol
PubChem CID66489494
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol
SMILESCc1[nH]nc2c1C(N)CC(c1ccccc1O)C2
InChIInChI=1S/C14H17N3O/c1-8-14-11(15)6-9(7-12(14)17-16-8)10-4-2-3-5-13(10)18/h2-5,9,11,18H,6-7,15H2,1H3,(H,16,17)
InChIKeyYYVLOIDHCYNDKC-UHFFFAOYSA-N
XLogP2.15
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
CID 40713703
6-(2-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489178
2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
CID 135581655
(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 95865985
4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 66489571
(8R)-8-(2-hydroxyphenyl)-6-methyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930087
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 135923483
1-[(Z)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]-2-methylguanidine;hydrochloride
CID 135581645
2-(3-fluorocyclobutyl)phenol
CID 115013138
3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
CID 4616940
2-cyclododecylphenol
CID 22381643
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol?
The IUPAC name of 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol (CID 66489494) is 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol.
What is the SMILES notation for 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol?
The canonical SMILES for 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol is Cc1[nH]nc2c1C(N)CC(c1ccccc1O)C2.
What is the InChIKey of 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol?
The InChIKey is YYVLOIDHCYNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-14-11(15)6-9(7-12(14)17-16-8)10-4-2-3-5-13(10)18/h2-5,9,11,18H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol?
2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol has a molecular weight of 243.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol is sourced from PubChem (CID 66489494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).