1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine

C15H21N3 — CID 66479456

IUPAC1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC)cc1C
InChIInChI=1S/C15H21N3/c1-5-15-14(10-18(4)17-15)13-7-6-12(9-16-3)8-11(13)2/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQZCKGVQZGZLMJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.68
Rot. Bonds4

About 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine

1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 66479456) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
PubChem CID66479456
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC)cc1C
InChIInChI=1S/C15H21N3/c1-5-15-14(10-18(4)17-15)13-7-6-12(9-16-3)8-11(13)2/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQZCKGVQZGZLMJJ-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine (CID 66479456) is 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine is CCc1nn(C)cc1-c1ccc(CNC)cc1C.
What is the InChIKey of 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is QZCKGVQZGZLMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-15-14(10-18(4)17-15)13-7-6-12(9-16-3)8-11(13)2/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 66479456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).