N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide

C17H28N8O2 — CID 29258468

IUPACN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
SMILESCCN(CCn1cccn1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H28N8O2/c1-2-23(9-10-24-7-4-6-18-24)17(26)5-3-8-25-16(19-20-21-25)15-22-11-13-27-14-12-22/h4,6-7H,2-3,5,8-15H2,1H3
InChIKeyTVJSGJCLKGGSOL-UHFFFAOYSA-N
MW376.47 g/mol
LogP0.03
Rot. Bonds10

About N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide

N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide (PubChem CID 29258468) has the molecular formula C17H28N8O2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
PubChem CID29258468
Molecular FormulaC17H28N8O2
Molecular Weight376.47 g/mol
Exact Mass376.23
IUPAC NameN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
SMILESCCN(CCn1cccn1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H28N8O2/c1-2-23(9-10-24-7-4-6-18-24)17(26)5-3-8-25-16(19-20-21-25)15-22-11-13-27-14-12-22/h4,6-7H,2-3,5,8-15H2,1H3
InChIKeyTVJSGJCLKGGSOL-UHFFFAOYSA-N
XLogP0.03
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide?
The IUPAC name of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide (CID 29258468) is N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide.
What is the SMILES notation for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide?
The canonical SMILES for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide is CCN(CCn1cccn1)C(=O)CCCn1nnnc1CN1CCOCC1.
What is the InChIKey of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide?
The InChIKey is TVJSGJCLKGGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O2/c1-2-23(9-10-24-7-4-6-18-24)17(26)5-3-8-25-16(19-20-21-25)15-22-11-13-27-14-12-22/h4,6-7H,2-3,5,8-15H2,1H3.
What are the key properties of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide?
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide has a molecular weight of 376.47 g/mol, XLogP of 0.03, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide is sourced from PubChem (CID 29258468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).