N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C16H28N8O — CID 126461715

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C16H28N8O/c1-11(2)23(6)9-15-19-20-21-24(15)10-16(25)22(5)8-7-14-12(3)17-18-13(14)4/h11H,7-10H2,1-6H3,(H,17,18)
InChIKeyFJMOEJIARSJBRZ-UHFFFAOYSA-N
MW348.46 g/mol
LogP0.55
Rot. Bonds8

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 126461715) has the molecular formula C16H28N8O and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID126461715
Molecular FormulaC16H28N8O
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C16H28N8O/c1-11(2)23(6)9-15-19-20-21-24(15)10-16(25)22(5)8-7-14-12(3)17-18-13(14)4/h11H,7-10H2,1-6H3,(H,17,18)
InChIKeyFJMOEJIARSJBRZ-UHFFFAOYSA-N
XLogP0.55
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 126461715) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is Cc1n[nH]c(C)c1CCN(C)C(=O)Cn1nnnc1CN(C)C(C)C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is FJMOEJIARSJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O/c1-11(2)23(6)9-15-19-20-21-24(15)10-16(25)22(5)8-7-14-12(3)17-18-13(14)4/h11H,7-10H2,1-6H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 348.46 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 126461715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).