1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone

C17H21N3O2 — CID 58202084

IUPAC1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone
SMILESCOc1cccc(CN(c2cc(C(C)=O)nn2C)C2CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)16-10-17(19(2)18-16)20(14-7-8-14)11-13-5-4-6-15(9-13)22-3/h4-6,9-10,14H,7-8,11H2,1-3H3
InChIKeyUAJFXOWGBARBMW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds6

About 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone

1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone (PubChem CID 58202084) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone
PubChem CID58202084
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone
SMILESCOc1cccc(CN(c2cc(C(C)=O)nn2C)C2CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)16-10-17(19(2)18-16)20(14-7-8-14)11-13-5-4-6-15(9-13)22-3/h4-6,9-10,14H,7-8,11H2,1-3H3
InChIKeyUAJFXOWGBARBMW-UHFFFAOYSA-N
XLogP2.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone (CID 58202084) is 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone is COc1cccc(CN(c2cc(C(C)=O)nn2C)C2CC2)c1.
What is the InChIKey of 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone?
The InChIKey is UAJFXOWGBARBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)16-10-17(19(2)18-16)20(14-7-8-14)11-13-5-4-6-15(9-13)22-3/h4-6,9-10,14H,7-8,11H2,1-3H3.
What are the key properties of 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone?
1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 58202084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).