1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C18H20FN7O — CID 74249707

IUPAC1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)n1cc(NC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nn1
InChIInChI=1S/C18H20FN7O/c1-12(2)25-11-17(22-23-25)21-18(27)24-9-14-7-20-26(16(14)10-24)8-13-3-5-15(19)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,27)
InChIKeyJYRFBIQOUDNWOF-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.79
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 74249707) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID74249707
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)n1cc(NC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nn1
InChIInChI=1S/C18H20FN7O/c1-12(2)25-11-17(22-23-25)21-18(27)24-9-14-7-20-26(16(14)10-24)8-13-3-5-15(19)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,27)
InChIKeyJYRFBIQOUDNWOF-UHFFFAOYSA-N
XLogP2.79
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 74249707) is 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC(C)n1cc(NC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is JYRFBIQOUDNWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-12(2)25-11-17(22-23-25)21-18(27)24-9-14-7-20-26(16(14)10-24)8-13-3-5-15(19)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 74249707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).