N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide

C12H20N8O2 — CID 133266708

IUPACN-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2CNNC2n2cnnn2)C1
InChIInChI=1S/C12H20N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h7-10,14,16H,2-6H2,1H3,(H,13,21)
InChIKeyNZAKJYAKSNAEQW-UHFFFAOYSA-N
MW308.35 g/mol
LogP-2.12
Rot. Bonds4

About N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide

N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 133266708) has the molecular formula C12H20N8O2 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID133266708
Molecular FormulaC12H20N8O2
Molecular Weight308.35 g/mol
Exact Mass308.17
IUPAC NameN-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2CNNC2n2cnnn2)C1
InChIInChI=1S/C12H20N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h7-10,14,16H,2-6H2,1H3,(H,13,21)
InChIKeyNZAKJYAKSNAEQW-UHFFFAOYSA-N
XLogP-2.12
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 133266708) is N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)C2CNNC2n2cnnn2)C1.
What is the InChIKey of N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is NZAKJYAKSNAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h7-10,14,16H,2-6H2,1H3,(H,13,21).
What are the key properties of N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of -2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 133266708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).