1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

C13H13ClFN3 — CID 107532030

IUPAC1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2cc(F)ccc2Cl)c2c1CCCC2
InChIInChI=1S/C13H13ClFN3/c14-10-6-5-8(15)7-12(10)18-11-4-2-1-3-9(11)13(16)17-18/h5-7H,1-4H2,(H2,16,17)
InChIKeyYRVJQYHYEXZVBP-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.13
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 107532030) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID107532030
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2cc(F)ccc2Cl)c2c1CCCC2
InChIInChI=1S/C13H13ClFN3/c14-10-6-5-8(15)7-12(10)18-11-4-2-1-3-9(11)13(16)17-18/h5-7H,1-4H2,(H2,16,17)
InChIKeyYRVJQYHYEXZVBP-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(4-fluoro-2-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942606
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942490
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine
CID 107531705
3-chloro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline
CID 19626969
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(2,4-dichloro-6-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942698
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
1-quinolin-5-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942328

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (CID 107532030) is 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2cc(F)ccc2Cl)c2c1CCCC2.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is YRVJQYHYEXZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c14-10-6-5-8(15)7-12(10)18-11-4-2-1-3-9(11)13(16)17-18/h5-7H,1-4H2,(H2,16,17).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 265.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 107532030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).