3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine

C11H21N3 — CID 79219214

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-12-7-8(2)6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyJQUSAVASMWHRKJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.81
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 79219214) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID79219214
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-12-7-8(2)6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyJQUSAVASMWHRKJ-UHFFFAOYSA-N
XLogP1.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine (CID 79219214) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is JQUSAVASMWHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-12-7-8(2)6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 79219214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).