N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine

C14H12ClN3 — CID 24991696

IUPACN-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine
SMILESCc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18)
InChIKeyQZJZCOUKYWKZOF-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.27
Rot. Bonds2

About N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine

N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine (PubChem CID 24991696) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine
PubChem CID24991696
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine
SMILESCc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18)
InChIKeyQZJZCOUKYWKZOF-UHFFFAOYSA-N
XLogP4.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine (CID 24991696) is N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine is Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine?
The InChIKey is QZJZCOUKYWKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18).
What are the key properties of N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine?
N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine is sourced from PubChem (CID 24991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).