N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C17H12Cl2FN3 — CID 90747126

IUPACN-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESFc1ccc2c3[nH][nH]c(NCc4cc(Cl)cc(Cl)c4)c-3cc2c1
InChIInChI=1S/C17H12Cl2FN3/c18-11-3-9(4-12(19)7-11)8-21-17-15-6-10-5-13(20)1-2-14(10)16(15)22-23-17/h1-7,21-23H,8H2
InChIKeyZWOSPMHVVFVUCA-UHFFFAOYSA-N
MW348.21 g/mol
LogP5.66
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90747126) has the molecular formula C17H12Cl2FN3 and a molecular weight of 348.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90747126
Molecular FormulaC17H12Cl2FN3
Molecular Weight348.21 g/mol
Exact Mass347.04
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESFc1ccc2c3[nH][nH]c(NCc4cc(Cl)cc(Cl)c4)c-3cc2c1
InChIInChI=1S/C17H12Cl2FN3/c18-11-3-9(4-12(19)7-11)8-21-17-15-6-10-5-13(20)1-2-14(10)16(15)22-23-17/h1-7,21-23H,8H2
InChIKeyZWOSPMHVVFVUCA-UHFFFAOYSA-N
XLogP5.66
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.21
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90747126) is N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is Fc1ccc2c3[nH][nH]c(NCc4cc(Cl)cc(Cl)c4)c-3cc2c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is ZWOSPMHVVFVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3/c18-11-3-9(4-12(19)7-11)8-21-17-15-6-10-5-13(20)1-2-14(10)16(15)22-23-17/h1-7,21-23H,8H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 348.21 g/mol, XLogP of 5.66, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-6-fluoro-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90747126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).