1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine

C18H20N4 — CID 58483574

IUPAC1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
SMILESCc1nn(-c2ccccc2)c2cc(N3CCC(N)C3)ccc12
InChIInChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3
InChIKeyYQLAOKYUTKRSQD-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.87
Rot. Bonds2

About 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine

1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine (PubChem CID 58483574) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
PubChem CID58483574
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
SMILESCc1nn(-c2ccccc2)c2cc(N3CCC(N)C3)ccc12
InChIInChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3
InChIKeyYQLAOKYUTKRSQD-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine (CID 58483574) is 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine is Cc1nn(-c2ccccc2)c2cc(N3CCC(N)C3)ccc12.
What is the InChIKey of 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine?
The InChIKey is YQLAOKYUTKRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3.
What are the key properties of 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine?
1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine has a molecular weight of 292.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine is sourced from PubChem (CID 58483574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).