N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline

C19H21N3O2 — CID 75377666

IUPACN-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline
SMILESCc1ccc(NCc2cccc3cn[nH]c23)cc1OC1CCOC1
InChIInChI=1S/C19H21N3O2/c1-13-5-6-16(9-18(13)24-17-7-8-23-12-17)20-10-14-3-2-4-15-11-21-22-19(14)15/h2-6,9,11,17,20H,7-8,10,12H2,1H3,(H,21,22)
InChIKeyFQYCJAJAPFGFKP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.65
Rot. Bonds5

About N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline

N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline (PubChem CID 75377666) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline
PubChem CID75377666
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline
SMILESCc1ccc(NCc2cccc3cn[nH]c23)cc1OC1CCOC1
InChIInChI=1S/C19H21N3O2/c1-13-5-6-16(9-18(13)24-17-7-8-23-12-17)20-10-14-3-2-4-15-11-21-22-19(14)15/h2-6,9,11,17,20H,7-8,10,12H2,1H3,(H,21,22)
InChIKeyFQYCJAJAPFGFKP-UHFFFAOYSA-N
XLogP3.65
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline (CID 75377666) is N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline is Cc1ccc(NCc2cccc3cn[nH]c23)cc1OC1CCOC1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline?
The InChIKey is FQYCJAJAPFGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-5-6-16(9-18(13)24-17-7-8-23-12-17)20-10-14-3-2-4-15-11-21-22-19(14)15/h2-6,9,11,17,20H,7-8,10,12H2,1H3,(H,21,22).
What are the key properties of N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline?
N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline has a molecular weight of 323.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-4-methyl-3-(oxolan-3-yloxy)aniline is sourced from PubChem (CID 75377666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).