N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C16H13N3 — CID 11550535

IUPACN-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESc1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C16H13N3/c1-2-7-12(8-3-1)17-16-14-10-11-6-4-5-9-13(11)15(14)18-19-16/h1-9H,10H2,(H2,17,18,19)
InChIKeyHXUODZKNCJWKGP-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.72
Rot. Bonds2

About N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 11550535) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID11550535
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC NameN-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESc1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C16H13N3/c1-2-7-12(8-3-1)17-16-14-10-11-6-4-5-9-13(11)15(14)18-19-16/h1-9H,10H2,(H2,17,18,19)
InChIKeyHXUODZKNCJWKGP-UHFFFAOYSA-N
XLogP3.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 11550535) is N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is c1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is HXUODZKNCJWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-7-12(8-3-1)17-16-14-10-11-6-4-5-9-13(11)15(14)18-19-16/h1-9H,10H2,(H2,17,18,19).
What are the key properties of N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 11550535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).