(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol

C16H21N5O — CID 70738692

IUPAC(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C16H21N5O/c1-12-10-20(11-16(12,22)13-6-5-7-13)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-4,8-9,12-13,22H,5-7,10-11H2,1H3/t12-,16+/m1/s1
InChIKeyFXECHYAPDWWVTP-WBMJQRKESA-N
MW299.38 g/mol
LogP1.65
Rot. Bonds3

About (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol

(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol (PubChem CID 70738692) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol
PubChem CID70738692
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C16H21N5O/c1-12-10-20(11-16(12,22)13-6-5-7-13)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-4,8-9,12-13,22H,5-7,10-11H2,1H3/t12-,16+/m1/s1
InChIKeyFXECHYAPDWWVTP-WBMJQRKESA-N
XLogP1.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 114780826
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
CID 72904522
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550
5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63389979
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol (CID 70738692) is (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol is C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol?
The InChIKey is FXECHYAPDWWVTP-WBMJQRKESA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-10-20(11-16(12,22)13-6-5-7-13)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-4,8-9,12-13,22H,5-7,10-11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol?
(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol has a molecular weight of 299.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 70738692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).