N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C13H21N9O — CID 133124017

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C13H21N9O/c1-2-11-14-5-7-21(11)6-3-4-15-13(23)10-8-16-18-12(10)22-9-17-19-20-22/h5,7,9-10,12,16,18H,2-4,6,8H2,1H3,(H,15,23)
InChIKeyFRYDIRAFOUKYBM-UHFFFAOYSA-N
MW319.37 g/mol
LogP-1.14
Rot. Bonds7

About N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133124017) has the molecular formula C13H21N9O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133124017
Molecular FormulaC13H21N9O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C13H21N9O/c1-2-11-14-5-7-21(11)6-3-4-15-13(23)10-8-16-18-12(10)22-9-17-19-20-22/h5,7,9-10,12,16,18H,2-4,6,8H2,1H3,(H,15,23)
InChIKeyFRYDIRAFOUKYBM-UHFFFAOYSA-N
XLogP-1.14
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133124017) is N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CCc1nccn1CCCNC(=O)C1CNNC1n1cnnn1.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is FRYDIRAFOUKYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N9O/c1-2-11-14-5-7-21(11)6-3-4-15-13(23)10-8-16-18-12(10)22-9-17-19-20-22/h5,7,9-10,12,16,18H,2-4,6,8H2,1H3,(H,15,23).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133124017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).