2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol

C13H15N3O — CID 83861535

IUPAC2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1C(N)CC2
InChIInChI=1S/C13H15N3O/c1-8-13-9(14)6-7-11(13)16(15-8)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7,14H2,1H3
InChIKeyCGJFNDVAHLLARW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol

2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol (PubChem CID 83861535) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
PubChem CID83861535
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1C(N)CC2
InChIInChI=1S/C13H15N3O/c1-8-13-9(14)6-7-11(13)16(15-8)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7,14H2,1H3
InChIKeyCGJFNDVAHLLARW-UHFFFAOYSA-N
XLogP1.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592658
3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82592652
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
CID 105491379
2-(5-amino-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 83893722
1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592656
2-(4-amino-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoic acid
CID 82592592
3-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
methyl 2-[4-(4-amino-3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenyl]acetate
CID 82592660
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol
CID 117124655
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol?
The IUPAC name of 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol (CID 83861535) is 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol.
What is the SMILES notation for 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol?
The canonical SMILES for 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol is Cc1nn(-c2ccccc2O)c2c1C(N)CC2.
What is the InChIKey of 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol?
The InChIKey is CGJFNDVAHLLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-13-9(14)6-7-11(13)16(15-8)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7,14H2,1H3.
What are the key properties of 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol?
2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol has a molecular weight of 229.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol is sourced from PubChem (CID 83861535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).