(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one

C18H15N5O4 — CID 7428045

IUPAC(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H15N5O4/c1-10-15(16(19)22(21-10)11-5-3-2-4-6-11)18(25)13-9-12(23(26)27)7-8-14(13)20-17(18)24/h2-9,25H,19H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyFWUURSFWONSINN-SFHVURJKSA-N
MW365.35 g/mol
LogP1.86
Rot. Bonds3

About (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one

(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one (PubChem CID 7428045) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
PubChem CID7428045
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H15N5O4/c1-10-15(16(19)22(21-10)11-5-3-2-4-6-11)18(25)13-9-12(23(26)27)7-8-14(13)20-17(18)24/h2-9,25H,19H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyFWUURSFWONSINN-SFHVURJKSA-N
XLogP1.86
TPSA136.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-6'-methyl-5-nitro-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 136776900
(3S)-3-[5-amino-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-5-bromo-3-hydroxy-1H-indol-2-one
CID 99807246
(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
CID 2380072
6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621337
(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
CID 7428276
3-[5-amino-1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-5-propan-2-yl-1H-indol-2-one
CID 4175024
3-hydroxy-5-nitro-3-(nitromethyl)-1H-indol-2-one
CID 72709585
(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 99807241
3,3-dimethyl-5-nitro-1H-indol-2-one;ethane
CID 143412729
3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 4077311
(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 7428290
(3R)-6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1035483

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one?
The IUPAC name of (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one (CID 7428045) is (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one?
The canonical SMILES for (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one is Cc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one?
The InChIKey is FWUURSFWONSINN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-10-15(16(19)22(21-10)11-5-3-2-4-6-11)18(25)13-9-12(23(26)27)7-8-14(13)20-17(18)24/h2-9,25H,19H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one?
(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one has a molecular weight of 365.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one is sourced from PubChem (CID 7428045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).