1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine

C14H16FN3 — CID 89334933

IUPAC1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine
SMILESNc1ccc2c(c1)CNN2CC1C=CC=C(F)C1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18/h1-5,7,10,17H,6,8-9,16H2
InChIKeyYOWPDYPLDPFVOE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.52
Rot. Bonds2

About 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine

1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine (PubChem CID 89334933) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine.

Molecular Properties

Compound Name1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine
PubChem CID89334933
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine
SMILESNc1ccc2c(c1)CNN2CC1C=CC=C(F)C1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18/h1-5,7,10,17H,6,8-9,16H2
InChIKeyYOWPDYPLDPFVOE-UHFFFAOYSA-N
XLogP2.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine?
The IUPAC name of 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine (CID 89334933) is 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine.
What is the SMILES notation for 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine?
The canonical SMILES for 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine is Nc1ccc2c(c1)CNN2CC1C=CC=C(F)C1.
What is the InChIKey of 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine?
The InChIKey is YOWPDYPLDPFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18/h1-5,7,10,17H,6,8-9,16H2.
What are the key properties of 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine?
1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine has a molecular weight of 245.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindazol-5-amine is sourced from PubChem (CID 89334933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).