1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

C16H15N3 — CID 102942368

IUPAC1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESNc1nn(-c2ccc3ccccc3c2)c2c1CCC2
InChIInChI=1S/C16H15N3/c17-16-14-6-3-7-15(14)19(18-16)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10H,3,6-7H2,(H2,17,18)
InChIKeyXVNAYMVLWZUATB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.10
Rot. Bonds1

About 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (PubChem CID 102942368) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
PubChem CID102942368
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESNc1nn(-c2ccc3ccccc3c2)c2c1CCC2
InChIInChI=1S/C16H15N3/c17-16-14-6-3-7-15(14)19(18-16)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10H,3,6-7H2,(H2,17,18)
InChIKeyXVNAYMVLWZUATB-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 114261535
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942644
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102943027
1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62635467
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942490

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The IUPAC name of 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (CID 102942368) is 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The canonical SMILES for 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is Nc1nn(-c2ccc3ccccc3c2)c2c1CCC2.
What is the InChIKey of 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The InChIKey is XVNAYMVLWZUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-14-6-3-7-15(14)19(18-16)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10H,3,6-7H2,(H2,17,18).
What are the key properties of 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine has a molecular weight of 249.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 102942368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).