(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C15H19N3O2 — CID 114671270

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1c(OC)cnn1C
InChIInChI=1S/C15H19N3O2/c1-16-9-8-11-6-4-5-7-12(11)15(19)14-13(20-3)10-17-18(14)2/h4-7,10,16H,8-9H2,1-3H3
InChIKeyUAAFRFMCINRKCU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.42
Rot. Bonds6

About (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 114671270) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID114671270
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1c(OC)cnn1C
InChIInChI=1S/C15H19N3O2/c1-16-9-8-11-6-4-5-7-12(11)15(19)14-13(20-3)10-17-18(14)2/h4-7,10,16H,8-9H2,1-3H3
InChIKeyUAAFRFMCINRKCU-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(3-methoxyphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613239
[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
CID 116613160
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
isoquinolin-1-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114640190
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
2-[2-(methylamino)ethyl]benzamide
CID 69094527
(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
CID 114666303
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 114671270) is (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)c1c(OC)cnn1C.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is UAAFRFMCINRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-9-8-11-6-4-5-7-12(11)15(19)14-13(20-3)10-17-18(14)2/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 114671270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).