1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole

C16H21N5 — CID 50812587

IUPAC1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
SMILESc1ccc(-n2nnnc2C2(N3CCCC3)CCCC2)cc1
InChIInChI=1S/C16H21N5/c1-2-8-14(9-3-1)21-15(17-18-19-21)16(10-4-5-11-16)20-12-6-7-13-20/h1-3,8-9H,4-7,10-13H2
InChIKeyHXQHOXOJUZMNCJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.53
Rot. Bonds3

About 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole

1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole (PubChem CID 50812587) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
PubChem CID50812587
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
SMILESc1ccc(-n2nnnc2C2(N3CCCC3)CCCC2)cc1
InChIInChI=1S/C16H21N5/c1-2-8-14(9-3-1)21-15(17-18-19-21)16(10-4-5-11-16)20-12-6-7-13-20/h1-3,8-9H,4-7,10-13H2
InChIKeyHXQHOXOJUZMNCJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
CID 43902752
1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30309738
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide
CID 171329127
1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 30617981
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
CID 30313940
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine
CID 4255378
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The IUPAC name of 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole (CID 50812587) is 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole is c1ccc(-n2nnnc2C2(N3CCCC3)CCCC2)cc1.
What is the InChIKey of 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
The InChIKey is HXQHOXOJUZMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-8-14(9-3-1)21-15(17-18-19-21)16(10-4-5-11-16)20-12-6-7-13-20/h1-3,8-9H,4-7,10-13H2.
What are the key properties of 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole?
1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole has a molecular weight of 283.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole is sourced from PubChem (CID 50812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).