[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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Related Compounds

1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
CID 129358344
[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 166272767
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
CID 136555336
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127757987
(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 79955750
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 146126346
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327

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).