1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine

C12H21N3 — CID 61271170

IUPAC1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(C(C)C2CC2)c1C
InChIInChI=1S/C12H21N3/c1-8(13-4)12-7-14-15(10(12)3)9(2)11-5-6-11/h7-9,11,13H,5-6H2,1-4H3
InChIKeyQWGLEUBBFAMQCO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine

1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine (PubChem CID 61271170) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine
PubChem CID61271170
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(C(C)C2CC2)c1C
InChIInChI=1S/C12H21N3/c1-8(13-4)12-7-14-15(10(12)3)9(2)11-5-6-11/h7-9,11,13H,5-6H2,1-4H3
InChIKeyQWGLEUBBFAMQCO-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine (CID 61271170) is 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(C(C)C2CC2)c1C.
What is the InChIKey of 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is QWGLEUBBFAMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(13-4)12-7-14-15(10(12)3)9(2)11-5-6-11/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 61271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).