2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

C10H17N3O2 — CID 103546459

IUPAC2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CC1OCCO1)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-11-9(5-10-14-3-4-15-10)8-6-12-13(2)7-8/h6-7,9-11H,3-5H2,1-2H3
InChIKeyNZLZXIZPAJXSSH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.44
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 103546459) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID103546459
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CC1OCCO1)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-11-9(5-10-14-3-4-15-10)8-6-12-13(2)7-8/h6-7,9-11H,3-5H2,1-2H3
InChIKeyNZLZXIZPAJXSSH-UHFFFAOYSA-N
XLogP0.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 103547010
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
N-methyl-1-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824383
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 103546459) is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is CNC(CC1OCCO1)c1cnn(C)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is NZLZXIZPAJXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-9(5-10-14-3-4-15-10)8-6-12-13(2)7-8/h6-7,9-11H,3-5H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103546459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).