N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide

C12H22N4O — CID 43399930

IUPACN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCCCNC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-14-12(17)8-13-7-11-9(2)15-16(4)10(11)3/h13H,5-8H2,1-4H3,(H,14,17)
InChIKeyCXSYCJYEGNWCTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.65
Rot. Bonds6

About N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide

N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 43399930) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID43399930
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCCCNC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-14-12(17)8-13-7-11-9(2)15-16(4)10(11)3/h13H,5-8H2,1-4H3,(H,14,17)
InChIKeyCXSYCJYEGNWCTM-UHFFFAOYSA-N
XLogP0.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (CID 43399930) is N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is CCCNC(=O)CNCc1c(C)nn(C)c1C.
What is the InChIKey of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is CXSYCJYEGNWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-14-12(17)8-13-7-11-9(2)15-16(4)10(11)3/h13H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 43399930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).