3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

C19H17ClN4O2 — CID 3297950

IUPAC3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H17ClN4O2/c1-11-16(17(21)24(22-11)13-9-7-12(20)8-10-13)19(26)14-5-3-4-6-15(14)23(2)18(19)25/h3-10,26H,21H2,1-2H3
InChIKeySITPIEQWOWECMU-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.63
Rot. Bonds2

About 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (PubChem CID 3297950) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
PubChem CID3297950
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H17ClN4O2/c1-11-16(17(21)24(22-11)13-9-7-12(20)8-10-13)19(26)14-5-3-4-6-15(14)23(2)18(19)25/h3-10,26H,21H2,1-2H3
InChIKeySITPIEQWOWECMU-UHFFFAOYSA-N
XLogP2.63
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (CID 3297950) is 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is Cc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The InChIKey is SITPIEQWOWECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-16(17(21)24(22-11)13-9-7-12(20)8-10-13)19(26)14-5-3-4-6-15(14)23(2)18(19)25/h3-10,26H,21H2,1-2H3.
What are the key properties of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one has a molecular weight of 368.82 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 3297950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).