N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine

C11H21N3 — CID 64666450

IUPACN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccnn1CC
InChIInChI=1S/C11H21N3/c1-4-12-9-10(3)8-11-6-7-13-14(11)5-2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyDHSNLWVLQUKHAL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.69
Rot. Bonds6

About N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine

N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine (PubChem CID 64666450) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
PubChem CID64666450
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccnn1CC
InChIInChI=1S/C11H21N3/c1-4-12-9-10(3)8-11-6-7-13-14(11)5-2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyDHSNLWVLQUKHAL-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine (CID 64666450) is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine is CCNCC(C)Cc1ccnn1CC.
What is the InChIKey of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is DHSNLWVLQUKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-12-9-10(3)8-11-6-7-13-14(11)5-2/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine?
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 64666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).