N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine

C20H24N6O — CID 40813669

IUPACN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine
SMILESCOc1cccc([C@H](CNc2nnnn2-c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C20H24N6O/c1-27-18-11-7-8-16(14-18)19(25-12-5-6-13-25)15-21-20-22-23-24-26(20)17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,21,22,24)/t19-/m0/s1
InChIKeyWSCVLHAVVFFFEC-IBGZPJMESA-N
MW364.45 g/mol
LogP2.92
Rot. Bonds7

About N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine

N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine (PubChem CID 40813669) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine
PubChem CID40813669
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine
SMILESCOc1cccc([C@H](CNc2nnnn2-c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C20H24N6O/c1-27-18-11-7-8-16(14-18)19(25-12-5-6-13-25)15-21-20-22-23-24-26(20)17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,21,22,24)/t19-/m0/s1
InChIKeyWSCVLHAVVFFFEC-IBGZPJMESA-N
XLogP2.92
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine (CID 40813669) is N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine is COc1cccc([C@H](CNc2nnnn2-c2ccccc2)N2CCCC2)c1.
What is the InChIKey of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine?
The InChIKey is WSCVLHAVVFFFEC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N6O/c1-27-18-11-7-8-16(14-18)19(25-12-5-6-13-25)15-21-20-22-23-24-26(20)17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,21,22,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine?
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine has a molecular weight of 364.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 40813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).