N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine

C19H18FN3O2 — CID 91027814

IUPACN-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc(F)c4)n(C)[nH]c-3c2cc1OC
InChIInChI=1S/C19H18FN3O2/c1-23-19(21-13-6-4-5-12(20)9-13)15-7-11-8-16(24-2)17(25-3)10-14(11)18(15)22-23/h4-10,21-22H,1-3H3
InChIKeyCVJWNWRWRWFXTL-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.51
Rot. Bonds4

About N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine

N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine (PubChem CID 91027814) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine
PubChem CID91027814
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc(F)c4)n(C)[nH]c-3c2cc1OC
InChIInChI=1S/C19H18FN3O2/c1-23-19(21-13-6-4-5-12(20)9-13)15-7-11-8-16(24-2)17(25-3)10-14(11)18(15)22-23/h4-10,21-22H,1-3H3
InChIKeyCVJWNWRWRWFXTL-UHFFFAOYSA-N
XLogP4.51
TPSA51.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine (CID 91027814) is N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine is COc1cc2cc3c(Nc4cccc(F)c4)n(C)[nH]c-3c2cc1OC.
What is the InChIKey of N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine?
The InChIKey is CVJWNWRWRWFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-19(21-13-6-4-5-12(20)9-13)15-7-11-8-16(24-2)17(25-3)10-14(11)18(15)22-23/h4-10,21-22H,1-3H3.
What are the key properties of N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine?
N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine has a molecular weight of 339.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91027814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).