N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide

C11H20N4O — CID 86808840

IUPACN-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
SMILESCc1[nH]ncc1CNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8-9(6-13-15-8)5-12-7-10(16)14-11(2,3)4/h6,12H,5,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYLKSASHTPOGIAX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds4

About N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide

N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide (PubChem CID 86808840) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
PubChem CID86808840
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
SMILESCc1[nH]ncc1CNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8-9(6-13-15-8)5-12-7-10(16)14-11(2,3)4/h6,12H,5,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYLKSASHTPOGIAX-UHFFFAOYSA-N
XLogP0.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide (CID 86808840) is N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide is Cc1[nH]ncc1CNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide?
The InChIKey is YLKSASHTPOGIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-9(6-13-15-8)5-12-7-10(16)14-11(2,3)4/h6,12H,5,7H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide?
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 86808840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).