[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone

C13H15N5O — CID 71688433

IUPAC[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCn1nnnc1-c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H15N5O/c1-17-12(14-15-16-17)10-4-6-11(7-5-10)13(19)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3
InChIKeyFTEXDQAJPXPXHY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.11
Rot. Bonds2

About [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 71688433) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID71688433
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCn1nnnc1-c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H15N5O/c1-17-12(14-15-16-17)10-4-6-11(7-5-10)13(19)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3
InChIKeyFTEXDQAJPXPXHY-UHFFFAOYSA-N
XLogP1.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23540946
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32970583
2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
CID 84785195
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 71688433) is [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone is Cn1nnnc1-c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FTEXDQAJPXPXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-17-12(14-15-16-17)10-4-6-11(7-5-10)13(19)18-8-2-3-9-18/h4-7H,2-3,8-9H2,1H3.
What are the key properties of [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 257.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71688433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).