N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C10H19N3 — CID 58465256

IUPACN,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCN(C)C
InChIInChI=1S/C10H19N3/c1-8-10(6-7-12(3)4)9(2)13(5)11-8/h6-7H2,1-5H3
InChIKeyUYCUEPWQUHKRGK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.14
Rot. Bonds3

About N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 58465256) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID58465256
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCN(C)C
InChIInChI=1S/C10H19N3/c1-8-10(6-7-12(3)4)9(2)13(5)11-8/h6-7H2,1-5H3
InChIKeyUYCUEPWQUHKRGK-UHFFFAOYSA-N
XLogP1.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 58465256) is N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is UYCUEPWQUHKRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8-10(6-7-12(3)4)9(2)13(5)11-8/h6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 58465256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).