N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C16H21FN4 — CID 115938578

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCC(NC1CCCc2c1cnn2C)c1ccc(F)cn1
InChIInChI=1S/C16H21FN4/c1-3-13(15-8-7-11(17)9-18-15)20-14-5-4-6-16-12(14)10-19-21(16)2/h7-10,13-14,20H,3-6H2,1-2H3
InChIKeyTUKWPQPPDUQVCS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 115938578) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID115938578
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCC(NC1CCCc2c1cnn2C)c1ccc(F)cn1
InChIInChI=1S/C16H21FN4/c1-3-13(15-8-7-11(17)9-18-15)20-14-5-4-6-16-12(14)10-19-21(16)2/h7-10,13-14,20H,3-6H2,1-2H3
InChIKeyTUKWPQPPDUQVCS-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 115938578) is N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CCC(NC1CCCc2c1cnn2C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is TUKWPQPPDUQVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-13(15-8-7-11(17)9-18-15)20-14-5-4-6-16-12(14)10-19-21(16)2/h7-10,13-14,20H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 288.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 115938578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).