N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine

C11H19N3 — CID 83094583

IUPACN-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1cn(C)nc1C
InChIInChI=1S/C11H19N3/c1-4-12-6-9-5-10(9)11-7-14(3)13-8(11)2/h7,9-10,12H,4-6H2,1-3H3
InChIKeyXBGGBUCAJBRFIK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.44
Rot. Bonds4

About N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine

N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine (PubChem CID 83094583) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
PubChem CID83094583
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1cn(C)nc1C
InChIInChI=1S/C11H19N3/c1-4-12-6-9-5-10(9)11-7-14(3)13-8(11)2/h7,9-10,12H,4-6H2,1-3H3
InChIKeyXBGGBUCAJBRFIK-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine (CID 83094583) is N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine is CCNCC1CC1c1cn(C)nc1C.
What is the InChIKey of N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine?
The InChIKey is XBGGBUCAJBRFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-12-6-9-5-10(9)11-7-14(3)13-8(11)2/h7,9-10,12H,4-6H2,1-3H3.
What are the key properties of N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine?
N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 83094583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).