(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone

C20H25N3O2 — CID 166241214

IUPAC(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCOc1ccc2c(c1)CN(C(=O)c1cnn(C3CCCCC3)c1C)C2
InChIInChI=1S/C20H25N3O2/c1-14-19(11-21-23(14)17-6-4-3-5-7-17)20(24)22-12-15-8-9-18(25-2)10-16(15)13-22/h8-11,17H,3-7,12-13H2,1-2H3
InChIKeyTYFFWZMGZCJLPF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds3

About (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone

(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 166241214) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
PubChem CID166241214
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCOc1ccc2c(c1)CN(C(=O)c1cnn(C3CCCCC3)c1C)C2
InChIInChI=1S/C20H25N3O2/c1-14-19(11-21-23(14)17-6-4-3-5-7-17)20(24)22-12-15-8-9-18(25-2)10-16(15)13-22/h8-11,17H,3-7,12-13H2,1-2H3
InChIKeyTYFFWZMGZCJLPF-UHFFFAOYSA-N
XLogP3.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone (CID 166241214) is (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone is COc1ccc2c(c1)CN(C(=O)c1cnn(C3CCCCC3)c1C)C2.
What is the InChIKey of (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is TYFFWZMGZCJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-19(11-21-23(14)17-6-4-3-5-7-17)20(24)22-12-15-8-9-18(25-2)10-16(15)13-22/h8-11,17H,3-7,12-13H2,1-2H3.
What are the key properties of (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 166241214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).