(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one

C19H16Cl2N4O2 — CID 7428276

IUPAC(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1cccc(-n2nc(C)c([C@@]3(O)C(=O)Nc4c(Cl)cc(Cl)cc43)c2N)c1
InChIInChI=1S/C19H16Cl2N4O2/c1-9-4-3-5-12(6-9)25-17(22)15(10(2)24-25)19(27)13-7-11(20)8-14(21)16(13)23-18(19)26/h3-8,27H,22H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyRKVNTNSUWXSMLF-LJQANCHMSA-N
MW403.27 g/mol
LogP3.57
Rot. Bonds2

About (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one

(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one (PubChem CID 7428276) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
PubChem CID7428276
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1cccc(-n2nc(C)c([C@@]3(O)C(=O)Nc4c(Cl)cc(Cl)cc43)c2N)c1
InChIInChI=1S/C19H16Cl2N4O2/c1-9-4-3-5-12(6-9)25-17(22)15(10(2)24-25)19(27)13-7-11(20)8-14(21)16(13)23-18(19)26/h3-8,27H,22H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyRKVNTNSUWXSMLF-LJQANCHMSA-N
XLogP3.57
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7428045
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
(3S)-3-[5-amino-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-5-bromo-3-hydroxy-1H-indol-2-one
CID 99807246
(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 7428290
3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 4077311
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 155528637
(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 99807241
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
4-(2-chlorophenyl)-3-methyl-1-(3-methylphenyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 3294446
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 75357933

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one (CID 7428276) is (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one is Cc1cccc(-n2nc(C)c([C@@]3(O)C(=O)Nc4c(Cl)cc(Cl)cc43)c2N)c1.
What is the InChIKey of (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The InChIKey is RKVNTNSUWXSMLF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-9-4-3-5-12(6-9)25-17(22)15(10(2)24-25)19(27)13-7-11(20)8-14(21)16(13)23-18(19)26/h3-8,27H,22H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one has a molecular weight of 403.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 7428276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).