N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C15H18FN3 — CID 43247641

IUPACN-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-19-15-7-3-6-14(13(15)10-18-19)17-9-11-4-2-5-12(16)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3
InChIKeyQVYQSJCUPKBTMS-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.73
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43247641) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43247641
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-19-15-7-3-6-14(13(15)10-18-19)17-9-11-4-2-5-12(16)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3
InChIKeyQVYQSJCUPKBTMS-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43247641) is N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is QVYQSJCUPKBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-15-7-3-6-14(13(15)10-18-19)17-9-11-4-2-5-12(16)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 259.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43247641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).