N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H15F2N3 — CID 43254572

IUPACN-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3/c1-19-14-4-2-3-13(10(14)8-17-19)18-9-5-6-11(15)12(16)7-9/h5-8,13,18H,2-4H2,1H3
InChIKeyOLPFKPKZDBQKGS-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.19
Rot. Bonds2

About N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254572) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254572
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3/c1-19-14-4-2-3-13(10(14)8-17-19)18-9-5-6-11(15)12(16)7-9/h5-8,13,18H,2-4H2,1H3
InChIKeyOLPFKPKZDBQKGS-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43254572) is N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is OLPFKPKZDBQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-19-14-4-2-3-13(10(14)8-17-19)18-9-5-6-11(15)12(16)7-9/h5-8,13,18H,2-4H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).