6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C16H10ClF2N3 — CID 91372206

IUPAC6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESFc1ccc(F)c(Nc2[nH][nH]c3c4ccc(Cl)cc4cc2-3)c1
InChIInChI=1S/C16H10ClF2N3/c17-9-1-3-11-8(5-9)6-12-15(11)21-22-16(12)20-14-7-10(18)2-4-13(14)19/h1-7,20-22H
InChIKeyJHKSLQBCUCWDSM-UHFFFAOYSA-N
MW317.73 g/mol
LogP5.28
Rot. Bonds2

About 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 91372206) has the molecular formula C16H10ClF2N3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID91372206
Molecular FormulaC16H10ClF2N3
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESFc1ccc(F)c(Nc2[nH][nH]c3c4ccc(Cl)cc4cc2-3)c1
InChIInChI=1S/C16H10ClF2N3/c17-9-1-3-11-8(5-9)6-12-15(11)21-22-16(12)20-14-7-10(18)2-4-13(14)19/h1-7,20-22H
InChIKeyJHKSLQBCUCWDSM-UHFFFAOYSA-N
XLogP5.28
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.73
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 91372206) is 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is Fc1ccc(F)c(Nc2[nH][nH]c3c4ccc(Cl)cc4cc2-3)c1.
What is the InChIKey of 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is JHKSLQBCUCWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3/c17-9-1-3-11-8(5-9)6-12-15(11)21-22-16(12)20-14-7-10(18)2-4-13(14)19/h1-7,20-22H.
What are the key properties of 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 317.73 g/mol, XLogP of 5.28, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-difluorophenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91372206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).