2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

C11H19N5O2 — CID 86285523

IUPAC2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNC(=O)N(C)C)cnn1C
InChIInChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18)
InChIKeyJJQCWCVCHRRLCH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.38
Rot. Bonds4

About 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 86285523) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID86285523
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNC(=O)N(C)C)cnn1C
InChIInChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18)
InChIKeyJJQCWCVCHRRLCH-UHFFFAOYSA-N
XLogP-0.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 86285523) is 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)CNC(=O)N(C)C)cnn1C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is JJQCWCVCHRRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86285523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).