[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C16H24N6O2 — CID 128981426

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-10(2)12-7-13(18-17-12)15(23)21-6-5-16(24,9-21)14-8-22(11(3)4)20-19-14/h7-8,10-11,24H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyCRICUSRTGLHKMY-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.44
Rot. Bonds4

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 128981426) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID128981426
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-10(2)12-7-13(18-17-12)15(23)21-6-5-16(24,9-21)14-8-22(11(3)4)20-19-14/h7-8,10-11,24H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyCRICUSRTGLHKMY-UHFFFAOYSA-N
XLogP1.44
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 128981426) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is CRICUSRTGLHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)12-7-13(18-17-12)15(23)21-6-5-16(24,9-21)14-8-22(11(3)4)20-19-14/h7-8,10-11,24H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 128981426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).