N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine

C18H15ClN4 — CID 69197876

IUPACN-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine
SMILESCn1nc(Nc2cccc(Cl)c2)c2cc(-n3cccc3)ccc21
InChIInChI=1S/C18H15ClN4/c1-22-17-8-7-15(23-9-2-3-10-23)12-16(17)18(21-22)20-14-6-4-5-13(19)11-14/h2-12H,1H3,(H,20,21)
InChIKeyYQXPJRSLUVELTO-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.76
Rot. Bonds3

About N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine

N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine (PubChem CID 69197876) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine
PubChem CID69197876
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC NameN-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine
SMILESCn1nc(Nc2cccc(Cl)c2)c2cc(-n3cccc3)ccc21
InChIInChI=1S/C18H15ClN4/c1-22-17-8-7-15(23-9-2-3-10-23)12-16(17)18(21-22)20-14-6-4-5-13(19)11-14/h2-12H,1H3,(H,20,21)
InChIKeyYQXPJRSLUVELTO-UHFFFAOYSA-N
XLogP4.76
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine (CID 69197876) is N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine is Cn1nc(Nc2cccc(Cl)c2)c2cc(-n3cccc3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine?
The InChIKey is YQXPJRSLUVELTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-22-17-8-7-15(23-9-2-3-10-23)12-16(17)18(21-22)20-14-6-4-5-13(19)11-14/h2-12H,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine?
N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine has a molecular weight of 322.80 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-5-pyrrol-1-ylindazol-3-amine is sourced from PubChem (CID 69197876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).