2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate

C15H19N5O2 — CID 23540946

IUPAC2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
SMILESCn1nnnc1-c1ccc(C(=O)OCCN2CCCC2)cc1
InChIInChI=1S/C15H19N5O2/c1-19-14(16-17-18-19)12-4-6-13(7-5-12)15(21)22-11-10-20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3
InChIKeyHQHDONFWTZWOOW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.13
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate

2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate (PubChem CID 23540946) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
PubChem CID23540946
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
SMILESCn1nnnc1-c1ccc(C(=O)OCCN2CCCC2)cc1
InChIInChI=1S/C15H19N5O2/c1-19-14(16-17-18-19)12-4-6-13(7-5-12)15(21)22-11-10-20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3
InChIKeyHQHDONFWTZWOOW-UHFFFAOYSA-N
XLogP1.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 58740461
pent-4-ynyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23541060
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 71688433
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
CID 84785195
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
(3-methylphenyl)methyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23541004
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate (CID 23540946) is 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate is Cn1nnnc1-c1ccc(C(=O)OCCN2CCCC2)cc1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The InChIKey is HQHDONFWTZWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19-14(16-17-18-19)12-4-6-13(7-5-12)15(21)22-11-10-20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate has a molecular weight of 301.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate is sourced from PubChem (CID 23540946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).