N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine

C20H24N6O2 — CID 133357170

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nnnn3-c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H24N6O2/c1-14-4-6-16(7-5-14)26-20(22-23-24-26)21-15-8-9-25(13-15)17-10-18(27-2)12-19(11-17)28-3/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,21,22,24)
InChIKeyKCWOIFDGAGMDJE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.68
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine (PubChem CID 133357170) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
PubChem CID133357170
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nnnn3-c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H24N6O2/c1-14-4-6-16(7-5-14)26-20(22-23-24-26)21-15-8-9-25(13-15)17-10-18(27-2)12-19(11-17)28-3/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,21,22,24)
InChIKeyKCWOIFDGAGMDJE-UHFFFAOYSA-N
XLogP2.68
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine (CID 133357170) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine is COc1cc(OC)cc(N2CCC(Nc3nnnn3-c3ccc(C)cc3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The InChIKey is KCWOIFDGAGMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-4-6-16(7-5-14)26-20(22-23-24-26)21-15-8-9-25(13-15)17-10-18(27-2)12-19(11-17)28-3/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,21,22,24).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine has a molecular weight of 380.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 133357170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).