[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C19H24N4O — CID 129358698

IUPAC[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)nn1[C@H](C)C1CC1
InChIInChI=1S/C19H24N4O/c1-13-12-16(20-23(13)14(2)15-8-9-15)19(24)22-11-10-21(3)17-6-4-5-7-18(17)22/h4-7,12,14-15H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyRZJCPMDIOREISQ-CQSZACIVSA-N
MW324.43 g/mol
LogP3.26
Rot. Bonds3

About [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 129358698) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID129358698
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)nn1[C@H](C)C1CC1
InChIInChI=1S/C19H24N4O/c1-13-12-16(20-23(13)14(2)15-8-9-15)19(24)22-11-10-21(3)17-6-4-5-7-18(17)22/h4-7,12,14-15H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyRZJCPMDIOREISQ-CQSZACIVSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 129358698) is [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)c3ccccc32)nn1[C@H](C)C1CC1.
What is the InChIKey of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is RZJCPMDIOREISQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-12-16(20-23(13)14(2)15-8-9-15)19(24)22-11-10-21(3)17-6-4-5-7-18(17)22/h4-7,12,14-15H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 129358698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).