1-[(2-chlorophenyl)methyl]indazol-3-amine

C14H12ClN3 — CID 55104008

IUPAC1-[(2-chlorophenyl)methyl]indazol-3-amine
SMILESNc1nn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17-18/h1-8H,9H2,(H2,16,17)
InChIKeyKREFSRXNKDVRNS-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.32
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]indazol-3-amine

1-[(2-chlorophenyl)methyl]indazol-3-amine (PubChem CID 55104008) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]indazol-3-amine
PubChem CID55104008
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name1-[(2-chlorophenyl)methyl]indazol-3-amine
SMILESNc1nn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17-18/h1-8H,9H2,(H2,16,17)
InChIKeyKREFSRXNKDVRNS-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1H-indazol-3-amine
CID 25096270
3-Amino-6-(2,4-dichlorophenyl)-1H-indazole-1-ethanol
CID 44567878
1-(3-chlorobenzyl)-1H-indazole
CID 20425690
1-(2-chloro-6-fluorobenzyl)-1H-indazole
CID 20425687
2-(4-Chloro-benzyl)-5-phenyl-2H-pyrazol-3-ylamine
CID 814441
2-Methyl-2H-indazol-3-amine
CID 590075
1-[(2,6-dichlorophenyl)methyl]-3-methyl-6-(2H-tetrazol-5-ylmethyl)indazole
CID 60152153
1-[(2,6-dichlorophenyl)methyl]-3-methyl-6-[2-(2H-tetrazol-5-yl)ethyl]indazole
CID 68183802
1-[(2,6-dichlorophenyl)methyl]-3-ethyl-6-(2H-tetrazol-5-yl)indazole
CID 68184300
1H-Indazol-3-amine, 1-(3-(2,6-dimethyl-1-piperidinyl)propyl)-
CID 3021362
1H-Indazol-3-amine, 1-(3-(4-chloro-1-piperidinyl)propyl)-
CID 3021363
1H-Indazol-3-amine, 1-(3-(1-piperidinyl)butyl)-
CID 3021373

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]indazol-3-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]indazol-3-amine (CID 55104008) is 1-[(2-chlorophenyl)methyl]indazol-3-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]indazol-3-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]indazol-3-amine is Nc1nn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]indazol-3-amine?
The InChIKey is KREFSRXNKDVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17-18/h1-8H,9H2,(H2,16,17).
What are the key properties of 1-[(2-chlorophenyl)methyl]indazol-3-amine?
1-[(2-chlorophenyl)methyl]indazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]indazol-3-amine is sourced from PubChem (CID 55104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).