3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one

C21H22N4O2 — CID 3296470

IUPAC3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-13(2)24-17-12-8-7-11-16(17)21(27,20(24)26)18-14(3)23-25(19(18)22)15-9-5-4-6-10-15/h4-13,27H,22H2,1-3H3
InChIKeyDKYLTOKWBBWLJB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.75
Rot. Bonds3

About 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one

3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one (PubChem CID 3296470) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
PubChem CID3296470
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-13(2)24-17-12-8-7-11-16(17)21(27,20(24)26)18-14(3)23-25(19(18)22)15-9-5-4-6-10-15/h4-13,27H,22H2,1-3H3
InChIKeyDKYLTOKWBBWLJB-UHFFFAOYSA-N
XLogP2.75
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 4638581
3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
CID 5078178
3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2997961
3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
CID 2999210
3-[5-Amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 3556464
3-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
CID 5080638
3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 3960274
3-[5-Amino-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]-1,3-dihydro-3-hydroxy-1-methyl-2H-indol-2-one
CID 4077311
3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one
CID 4187650
3-[5-Amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 3297950
3-[5-Amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-(3-methylbutyl)indol-2-one
CID 4624605
3-[5-Amino-1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 16260076

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one (CID 3296470) is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one is Cc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The InChIKey is DKYLTOKWBBWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13(2)24-17-12-8-7-11-16(17)21(27,20(24)26)18-14(3)23-25(19(18)22)15-9-5-4-6-10-15/h4-13,27H,22H2,1-3H3.
What are the key properties of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one is sourced from PubChem (CID 3296470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).