3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one

C22H24N4O2 — CID 3556464

IUPAC3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1ccc(-n2nc(C)c(C3(O)C(=O)N(C(C)C)c4ccccc43)c2N)cc1
InChIInChI=1S/C22H24N4O2/c1-13(2)25-18-8-6-5-7-17(18)22(28,21(25)27)19-15(4)24-26(20(19)23)16-11-9-14(3)10-12-16/h5-13,28H,23H2,1-4H3
InChIKeyGIPPQRUSSUTCBO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.06
Rot. Bonds3

About 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one

3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one (PubChem CID 3556464) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one
PubChem CID3556464
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1ccc(-n2nc(C)c(C3(O)C(=O)N(C(C)C)c4ccccc43)c2N)cc1
InChIInChI=1S/C22H24N4O2/c1-13(2)25-18-8-6-5-7-17(18)22(28,21(25)27)19-15(4)24-26(20(19)23)16-11-9-14(3)10-12-16/h5-13,28H,23H2,1-4H3
InChIKeyGIPPQRUSSUTCBO-UHFFFAOYSA-N
XLogP3.06
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.06
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-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one?
The IUPAC name of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one (CID 3556464) is 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one is Cc1ccc(-n2nc(C)c(C3(O)C(=O)N(C(C)C)c4ccccc43)c2N)cc1.
What is the InChIKey of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one?
The InChIKey is GIPPQRUSSUTCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13(2)25-18-8-6-5-7-17(18)22(28,21(25)27)19-15(4)24-26(20(19)23)16-11-9-14(3)10-12-16/h5-13,28H,23H2,1-4H3.
What are the key properties of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one?
3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.06, 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-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-propan-2-ylindol-2-one is sourced from PubChem (CID 3556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).