1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one

C19H18ClN5O — CID 51361332

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O/c1-13(2)25-19(26)17-5-3-4-6-18(17)24(25)12-15-11-23(22-21-15)16-9-7-14(20)8-10-16/h3-11,13H,12H2,1-2H3
InChIKeyOAZWVUMJNOUKRO-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.67
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one (PubChem CID 51361332) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one
PubChem CID51361332
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O/c1-13(2)25-19(26)17-5-3-4-6-18(17)24(25)12-15-11-23(22-21-15)16-9-7-14(20)8-10-16/h3-11,13H,12H2,1-2H3
InChIKeyOAZWVUMJNOUKRO-UHFFFAOYSA-N
XLogP3.67
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one (CID 51361332) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one is CC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one?
The InChIKey is OAZWVUMJNOUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-13(2)25-19(26)17-5-3-4-6-18(17)24(25)12-15-11-23(22-21-15)16-9-7-14(20)8-10-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one has a molecular weight of 367.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-propan-2-ylindazol-3-one is sourced from PubChem (CID 51361332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).