[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone

C17H26N6O2 — CID 129483607

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-12(2)8-22-9-14(7-18-22)16(24)21-6-5-17(25,11-21)15-10-23(13(3)4)20-19-15/h7,9-10,12-13,25H,5-6,8,11H2,1-4H3/t17-/m1/s1
InChIKeySNKJBMYBQFYZCN-QGZVFWFLSA-N
MW346.44 g/mol
LogP1.45
Rot. Bonds5

About [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone (PubChem CID 129483607) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
PubChem CID129483607
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-12(2)8-22-9-14(7-18-22)16(24)21-6-5-17(25,11-21)15-10-23(13(3)4)20-19-15/h7,9-10,12-13,25H,5-6,8,11H2,1-4H3/t17-/m1/s1
InChIKeySNKJBMYBQFYZCN-QGZVFWFLSA-N
XLogP1.45
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone (CID 129483607) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone is CC(C)Cn1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cn1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone?
The InChIKey is SNKJBMYBQFYZCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12(2)8-22-9-14(7-18-22)16(24)21-6-5-17(25,11-21)15-10-23(13(3)4)20-19-15/h7,9-10,12-13,25H,5-6,8,11H2,1-4H3/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone has a molecular weight of 346.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 129483607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).