N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine

C17H12ClN3 — CID 57414682

IUPACN-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine
SMILESClc1ccc(Nc2n[nH]c3cc4ccccc4cc23)cc1
InChIInChI=1S/C17H12ClN3/c18-13-5-7-14(8-6-13)19-17-15-9-11-3-1-2-4-12(11)10-16(15)20-21-17/h1-10H,(H2,19,20,21)
InChIKeyTYNOXLKOJLZGHQ-UHFFFAOYSA-N
MW293.76 g/mol
LogP5.11
Rot. Bonds2

About N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine

N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine (PubChem CID 57414682) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine
PubChem CID57414682
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC NameN-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine
SMILESClc1ccc(Nc2n[nH]c3cc4ccccc4cc23)cc1
InChIInChI=1S/C17H12ClN3/c18-13-5-7-14(8-6-13)19-17-15-9-11-3-1-2-4-12(11)10-16(15)20-21-17/h1-10H,(H2,19,20,21)
InChIKeyTYNOXLKOJLZGHQ-UHFFFAOYSA-N
XLogP5.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.76
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10248119
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CID 11337894
CID 11337894
CID 24987277
CID 24987277
CID 24991696
CID 24991696
CID 25096270
CID 25096270
CID 25096271
CID 25096271
CID 44405431
CID 44405431
CID 44405518
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CID 122187124
CID 122187124

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine?
The IUPAC name of N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine (CID 57414682) is N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine is Clc1ccc(Nc2n[nH]c3cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine?
The InChIKey is TYNOXLKOJLZGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-13-5-7-14(8-6-13)19-17-15-9-11-3-1-2-4-12(11)10-16(15)20-21-17/h1-10H,(H2,19,20,21).
What are the key properties of N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine?
N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine has a molecular weight of 293.76 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1H-benzo[f]indazol-3-amine is sourced from PubChem (CID 57414682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).