N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide

C15H24N8O — CID 154854738

IUPACN-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide
SMILESCc1nn(C)c(N2CCC2)c1NC(=O)Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C15H24N8O/c1-10-12(13(21(5)18-10)22-7-6-8-22)16-11(24)9-23-19-14(17-20-23)15(2,3)4/h6-9H2,1-5H3,(H,16,24)
InChIKeyWDDNRVSJTSTKAK-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.86
Rot. Bonds4

About N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide

N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide (PubChem CID 154854738) has the molecular formula C15H24N8O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide
PubChem CID154854738
Molecular FormulaC15H24N8O
Molecular Weight332.41 g/mol
Exact Mass332.21
IUPAC NameN-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide
SMILESCc1nn(C)c(N2CCC2)c1NC(=O)Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C15H24N8O/c1-10-12(13(21(5)18-10)22-7-6-8-22)16-11(24)9-23-19-14(17-20-23)15(2,3)4/h6-9H2,1-5H3,(H,16,24)
InChIKeyWDDNRVSJTSTKAK-UHFFFAOYSA-N
XLogP0.86
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The IUPAC name of N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide (CID 154854738) is N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide is Cc1nn(C)c(N2CCC2)c1NC(=O)Cn1nnc(C(C)(C)C)n1.
What is the InChIKey of N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The InChIKey is WDDNRVSJTSTKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8O/c1-10-12(13(21(5)18-10)22-7-6-8-22)16-11(24)9-23-19-14(17-20-23)15(2,3)4/h6-9H2,1-5H3,(H,16,24).
What are the key properties of N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(5-tert-butyltetrazol-2-yl)acetamide is sourced from PubChem (CID 154854738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).