2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide

C12H22N4O — CID 120654961

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C12H22N4O/c1-5-13-10(3)7-14-12(17)8-16-11(4)6-9(2)15-16/h6,10,13H,5,7-8H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyWTWIDCCZNDECSZ-SNVBAGLBSA-N
MW238.33 g/mol
LogP0.61
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide (PubChem CID 120654961) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
PubChem CID120654961
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C12H22N4O/c1-5-13-10(3)7-14-12(17)8-16-11(4)6-9(2)15-16/h6,10,13H,5,7-8H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyWTWIDCCZNDECSZ-SNVBAGLBSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 69148173
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide (CID 120654961) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide is CCN[C@H](C)CNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The InChIKey is WTWIDCCZNDECSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-10(3)7-14-12(17)8-16-11(4)6-9(2)15-16/h6,10,13H,5,7-8H2,1-4H3,(H,14,17)/t10-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide is sourced from PubChem (CID 120654961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).