3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C15H18FN5O — CID 126832919

IUPAC3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCn1nc2c(c1N)CN(C(=O)NCCc1ccc(F)cc1)C2
InChIInChI=1S/C15H18FN5O/c1-20-14(17)12-8-21(9-13(12)19-20)15(22)18-7-6-10-2-4-11(16)5-3-10/h2-5H,6-9,17H2,1H3,(H,18,22)
InChIKeyLQXLTNROWWGDQE-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.41
Rot. Bonds3

About 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 126832919) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID126832919
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCn1nc2c(c1N)CN(C(=O)NCCc1ccc(F)cc1)C2
InChIInChI=1S/C15H18FN5O/c1-20-14(17)12-8-21(9-13(12)19-20)15(22)18-7-6-10-2-4-11(16)5-3-10/h2-5H,6-9,17H2,1H3,(H,18,22)
InChIKeyLQXLTNROWWGDQE-UHFFFAOYSA-N
XLogP1.41
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 126832919) is 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is Cn1nc2c(c1N)CN(C(=O)NCCc1ccc(F)cc1)C2.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is LQXLTNROWWGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-20-14(17)12-8-21(9-13(12)19-20)15(22)18-7-6-10-2-4-11(16)5-3-10/h2-5H,6-9,17H2,1H3,(H,18,22).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 126832919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).