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

C19H18FN3O2 — CID 91428886

IUPACN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(NCc4cccc(F)c4)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-9,21-23H,10H2,1-2H3
InChIKeyDFUUBXGKGSRIGP-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.37
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 91428886) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID91428886
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(NCc4cccc(F)c4)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-9,21-23H,10H2,1-2H3
InChIKeyDFUUBXGKGSRIGP-UHFFFAOYSA-N
XLogP4.37
TPSA62.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
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CID 90795983
N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90990929
3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
CID 91408824
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445751
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
N-(3-fluorophenyl)-6,7-dimethoxy-2-methyl-1H-indeno[1,2-c]pyrazol-3-amine
CID 91027814
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111201873
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol
CID 91580961

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 91428886) is N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2cc3c(NCc4cccc(F)c4)[nH][nH]c-3c2cc1OC.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is DFUUBXGKGSRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-9,21-23H,10H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 339.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91428886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).