4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol

C13H15N3O — CID 83862475

IUPAC4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
SMILESCNc1c2c(nn1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C13H15N3O/c1-14-13-11-3-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9/h5-8,14,17H,2-4H2,1H3
InChIKeyJXYZTZBLYKUZMQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.11
Rot. Bonds2

About 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol

4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol (PubChem CID 83862475) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
PubChem CID83862475
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
SMILESCNc1c2c(nn1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C13H15N3O/c1-14-13-11-3-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9/h5-8,14,17H,2-4H2,1H3
InChIKeyJXYZTZBLYKUZMQ-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
1-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
CID 163745333
4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
CID 56808607
2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 48574488
3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 83871888
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30177201
2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
CID 83862790
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol?
The IUPAC name of 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol (CID 83862475) is 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol.
What is the SMILES notation for 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol?
The canonical SMILES for 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol is CNc1c2c(nn1-c1ccc(O)cc1)CCC2.
What is the InChIKey of 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol?
The InChIKey is JXYZTZBLYKUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-13-11-3-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9/h5-8,14,17H,2-4H2,1H3.
What are the key properties of 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol?
4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol is sourced from PubChem (CID 83862475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).