4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine

C15H11ClF3N3 — CID 118335489

IUPAC4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
SMILESNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C15H11ClF3N3/c16-11-2-1-3-12-13(11)14(20)21-22(12)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyPKDHYNQEKYNGQR-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine

4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine (PubChem CID 118335489) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
PubChem CID118335489
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
SMILESNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C15H11ClF3N3/c16-11-2-1-3-12-13(11)14(20)21-22(12)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyPKDHYNQEKYNGQR-UHFFFAOYSA-N
XLogP4.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?
The IUPAC name of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine (CID 118335489) is 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine.
What is the SMILES notation for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?
The canonical SMILES for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine is Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?
The InChIKey is PKDHYNQEKYNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c16-11-2-1-3-12-13(11)14(20)21-22(12)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21).
What are the key properties of 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?
4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine has a molecular weight of 325.72 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine is sourced from PubChem (CID 118335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).