2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide

C12H21N5O2 — CID 77091501

IUPAC2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CNC(=O)N(C)C
InChIInChI=1S/C12H21N5O2/c1-4-16(8-9-17-7-5-6-14-17)11(18)10-13-12(19)15(2)3/h5-7H,4,8-10H2,1-3H3,(H,13,19)
InChIKeyHTWMWMWUKXQKHL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.00
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide

2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 77091501) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID77091501
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CNC(=O)N(C)C
InChIInChI=1S/C12H21N5O2/c1-4-16(8-9-17-7-5-6-14-17)11(18)10-13-12(19)15(2)3/h5-7H,4,8-10H2,1-3H3,(H,13,19)
InChIKeyHTWMWMWUKXQKHL-UHFFFAOYSA-N
XLogP0.00
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 77091501) is 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide is CCN(CCn1cccn1)C(=O)CNC(=O)N(C)C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is HTWMWMWUKXQKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-16(8-9-17-7-5-6-14-17)11(18)10-13-12(19)15(2)3/h5-7H,4,8-10H2,1-3H3,(H,13,19).
What are the key properties of 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 77091501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).