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

C12H24Cl2N4O — CID 120828294

IUPACN-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1c(C)nn(C)c1C.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-8(13-4)7-14-12(17)6-11-9(2)15-16(5)10(11)3;;/h8,13H,6-7H2,1-5H3,(H,14,17);2*1H
InChIKeyLCHQBZHVYRIKSJ-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.15
Rot. Bonds5

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

N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride (PubChem CID 120828294) has the molecular formula C12H24Cl2N4O and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
PubChem CID120828294
Molecular FormulaC12H24Cl2N4O
Molecular Weight311.26 g/mol
Exact Mass310.13
IUPAC NameN-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1c(C)nn(C)c1C.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-8(13-4)7-14-12(17)6-11-9(2)15-16(5)10(11)3;;/h8,13H,6-7H2,1-5H3,(H,14,17);2*1H
InChIKeyLCHQBZHVYRIKSJ-UHFFFAOYSA-N
XLogP1.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111446406
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 110027942

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride (CID 120828294) is N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride is CNC(C)CNC(=O)Cc1c(C)nn(C)c1C.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The InChIKey is LCHQBZHVYRIKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.2ClH/c1-8(13-4)7-14-12(17)6-11-9(2)15-16(5)10(11)3;;/h8,13H,6-7H2,1-5H3,(H,14,17);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride has a molecular weight of 311.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120828294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).