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

C19H18N4O2 — CID 5080638

IUPAC3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H18N4O2/c1-12-16(17(20)23(21-12)13-8-4-3-5-9-13)19(25)14-10-6-7-11-15(14)22(2)18(19)24/h3-11,25H,20H2,1-2H3
InChIKeyVNNULWYMILRVOZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.98
Rot. Bonds2

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

3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one (PubChem CID 5080638) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
PubChem CID5080638
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H18N4O2/c1-12-16(17(20)23(21-12)13-8-4-3-5-9-13)19(25)14-10-6-7-11-15(14)22(2)18(19)24/h3-11,25H,20H2,1-2H3
InChIKeyVNNULWYMILRVOZ-UHFFFAOYSA-N
XLogP1.98
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one (CID 5080638) is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one is Cc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The InChIKey is VNNULWYMILRVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-16(17(20)23(21-12)13-8-4-3-5-9-13)19(25)14-10-6-7-11-15(14)22(2)18(19)24/h3-11,25H,20H2,1-2H3.
What are the key properties of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one has a molecular weight of 334.38 g/mol, XLogP of 1.98, 2 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-methylindol-2-one is sourced from PubChem (CID 5080638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).