2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C12H21N5O2 — CID 91796797

IUPAC2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CNC(=O)N(C)C)c1ccnn1C
InChIInChI=1S/C12H21N5O2/c1-5-9(10-6-7-14-17(10)4)15-11(18)8-13-12(19)16(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,19)(H,15,18)
InChIKeyOAQUPHLHNUDTOH-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.26
Rot. Bonds5

About 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 91796797) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID91796797
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CNC(=O)N(C)C)c1ccnn1C
InChIInChI=1S/C12H21N5O2/c1-5-9(10-6-7-14-17(10)4)15-11(18)8-13-12(19)16(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,19)(H,15,18)
InChIKeyOAQUPHLHNUDTOH-UHFFFAOYSA-N
XLogP0.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
CID 72892647
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91829109
N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 135120384
N-[1-(2-methylpyrazol-3-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70730398
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 135119204
1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 125443629
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 91796797) is 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)CNC(=O)N(C)C)c1ccnn1C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is OAQUPHLHNUDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-9(10-6-7-14-17(10)4)15-11(18)8-13-12(19)16(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,19)(H,15,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).