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

C14H27Cl2N5O — CID 119928363

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1c(C)nn(C)c1C.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-10-14(11(2)18(4)17-10)16-13(20)9-19-7-5-6-12(19)8-15-3;;/h12,15H,5-9H2,1-4H3,(H,16,20);2*1H
InChIKeyJEKZZJKIXRWRPE-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.50
Rot. Bonds5

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

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride (PubChem CID 119928363) has the molecular formula C14H27Cl2N5O and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
PubChem CID119928363
Molecular FormulaC14H27Cl2N5O
Molecular Weight352.31 g/mol
Exact Mass351.16
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1c(C)nn(C)c1C.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-10-14(11(2)18(4)17-10)16-13(20)9-19-7-5-6-12(19)8-15-3;;/h12,15H,5-9H2,1-4H3,(H,16,20);2*1H
InChIKeyJEKZZJKIXRWRPE-UHFFFAOYSA-N
XLogP1.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
N,N-dimethyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 134031692
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63267860
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80507160
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride (CID 119928363) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride is CNCC1CCCN1CC(=O)Nc1c(C)nn(C)c1C.Cl.Cl.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
The InChIKey is JEKZZJKIXRWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.2ClH/c1-10-14(11(2)18(4)17-10)16-13(20)9-19-7-5-6-12(19)8-15-3;;/h12,15H,5-9H2,1-4H3,(H,16,20);2*1H.
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119928363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).