3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol

C17H22N6O2 — CID 154798154

IUPAC3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)n1cc(C2(O)CCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1
InChIInChI=1S/C17H22N6O2/c1-12(2)23-10-16(20-21-23)17(24)6-8-22(11-17)9-13-3-4-15(25-13)14-5-7-18-19-14/h3-5,7,10,12,24H,6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGFZWIXRCAAGFIR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol

3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 154798154) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
PubChem CID154798154
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)n1cc(C2(O)CCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1
InChIInChI=1S/C17H22N6O2/c1-12(2)23-10-16(20-21-23)17(24)6-8-22(11-17)9-13-3-4-15(25-13)14-5-7-18-19-14/h3-5,7,10,12,24H,6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGFZWIXRCAAGFIR-UHFFFAOYSA-N
XLogP1.94
TPSA96.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol (CID 154798154) is 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol is CC(C)n1cc(C2(O)CCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1.
What is the InChIKey of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is GFZWIXRCAAGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(2)23-10-16(20-21-23)17(24)6-8-22(11-17)9-13-3-4-15(25-13)14-5-7-18-19-14/h3-5,7,10,12,24H,6,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 154798154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).