1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole

C17H25N5O — CID 51929863

IUPAC1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCCCCn1nnnc1CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H25N5O/c1-3-4-11-22-17(18-19-20-22)13-21-10-6-9-16(21)14-7-5-8-15(12-14)23-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3/t16-/m1/s1
InChIKeyKQYPPQIXHZSQGD-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.82
Rot. Bonds7

About 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole

1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole (PubChem CID 51929863) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole
PubChem CID51929863
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCCCCn1nnnc1CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H25N5O/c1-3-4-11-22-17(18-19-20-22)13-21-10-6-9-16(21)14-7-5-8-15(12-14)23-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3/t16-/m1/s1
InChIKeyKQYPPQIXHZSQGD-MRXNPFEDSA-N
XLogP2.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(4-bromophenyl)pyrrolidin-1-yl]methyl]-1-butyltetrazole
CID 55829935
1-butyl-5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 51110432
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
CID 99946184
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
CID 174954168
CID 174954168
1-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51313378
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole?
The IUPAC name of 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole (CID 51929863) is 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole?
The canonical SMILES for 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole is CCCCn1nnnc1CN1CCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole?
The InChIKey is KQYPPQIXHZSQGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-4-11-22-17(18-19-20-22)13-21-10-6-9-16(21)14-7-5-8-15(12-14)23-2/h5,7-8,12,16H,3-4,6,9-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole?
1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole has a molecular weight of 315.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole is sourced from PubChem (CID 51929863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).