6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

C15H18FN5 — CID 79280957

IUPAC6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2Cc1ccccc1F
InChIInChI=1S/C15H18FN5/c1-3-6-12-13-14(20(2)19-12)21(15(17)18-13)9-10-7-4-5-8-11(10)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,17,18)
InChIKeyUTDHIGNPZOAZHQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.49
Rot. Bonds4

About 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79280957) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79280957
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2Cc1ccccc1F
InChIInChI=1S/C15H18FN5/c1-3-6-12-13-14(20(2)19-12)21(15(17)18-13)9-10-7-4-5-8-11(10)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,17,18)
InChIKeyUTDHIGNPZOAZHQ-UHFFFAOYSA-N
XLogP2.49
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 79280957) is 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is UTDHIGNPZOAZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-3-6-12-13-14(20(2)19-12)21(15(17)18-13)9-10-7-4-5-8-11(10)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,17,18).
What are the key properties of 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 287.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79280957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).