N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide

C14H27N7O — CID 133265795

IUPACN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N(C)CC1CC(C(C)(C)C)NN1
InChIInChI=1S/C14H27N7O/c1-10-15-18-19-21(10)7-6-13(22)20(5)9-11-8-12(17-16-11)14(2,3)4/h11-12,16-17H,6-9H2,1-5H3
InChIKeyVUACJTJFQLNIIX-UHFFFAOYSA-N
MW309.42 g/mol
LogP0.11
Rot. Bonds5

About N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide

N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 133265795) has the molecular formula C14H27N7O and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID133265795
Molecular FormulaC14H27N7O
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N(C)CC1CC(C(C)(C)C)NN1
InChIInChI=1S/C14H27N7O/c1-10-15-18-19-21(10)7-6-13(22)20(5)9-11-8-12(17-16-11)14(2,3)4/h11-12,16-17H,6-9H2,1-5H3
InChIKeyVUACJTJFQLNIIX-UHFFFAOYSA-N
XLogP0.11
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide 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-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide (CID 133265795) is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)N(C)CC1CC(C(C)(C)C)NN1.
What is the InChIKey of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is VUACJTJFQLNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7O/c1-10-15-18-19-21(10)7-6-13(22)20(5)9-11-8-12(17-16-11)14(2,3)4/h11-12,16-17H,6-9H2,1-5H3.
What are the key properties of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 309.42 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 133265795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).