1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride

C12H13ClFN3 — CID 122156936

IUPAC1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C12H12FN3.ClH/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(14)15-16;/h4-7H,1-3H2,(H2,14,15);1H
InChIKeyOWYZHIQMXMUIHX-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride

1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride (PubChem CID 122156936) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
PubChem CID122156936
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C12H12FN3.ClH/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(14)15-16;/h4-7H,1-3H2,(H2,14,15);1H
InChIKeyOWYZHIQMXMUIHX-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 114261535
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
2-[ethyl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119206416
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
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
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride (CID 122156936) is 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride is Cl.Nc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride?
The InChIKey is OWYZHIQMXMUIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3.ClH/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(14)15-16;/h4-7H,1-3H2,(H2,14,15);1H.
What are the key properties of 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride?
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride has a molecular weight of 253.71 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 122156936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).