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

C15H19FN4 — CID 103777387

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1cncc(F)c1
InChIInChI=1S/C15H19FN4/c1-10(11-6-12(16)8-17-7-11)19-14-4-3-5-15-13(14)9-18-20(15)2/h6-10,14,19H,3-5H2,1-2H3
InChIKeyKBVOQQLGSODCIW-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.68
Rot. Bonds3

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

N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 103777387) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID103777387
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1cncc(F)c1
InChIInChI=1S/C15H19FN4/c1-10(11-6-12(16)8-17-7-11)19-14-4-3-5-15-13(14)9-18-20(15)2/h6-10,14,19H,3-5H2,1-2H3
InChIKeyKBVOQQLGSODCIW-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 104652571
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777362
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
CID 43727389
N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81377325
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787461
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 103777387) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CC(NC1CCCc2c1cnn2C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KBVOQQLGSODCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10(11-6-12(16)8-17-7-11)19-14-4-3-5-15-13(14)9-18-20(15)2/h6-10,14,19H,3-5H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 103777387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).