1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C16H25ClN6O — CID 128979187

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128979187) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• PubChem CID: 128979187
• Molecular Formula: C16H25ClN6O
• Molecular Weight: 352.87 g/mol
• Exact Mass: 352.18
• IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• SMILES: Cc1nn(C)c(Cl)c1CN1CCCC(O)(c2cn(C(C)C)nn2)C1
• InChI: InChI=1S/C16H25ClN6O/c1-11(2)23-9-14(18-20-23)16(24)6-5-7-22(10-16)8-13-12(3)19-21(4)15(13)17/h9,11,24H,5-8,10H2,1-4H3
• InChIKey: BAFRYIGSBHAQIB-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 72.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.87
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128979187) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is Cc1nn(C)c(Cl)c1CN1CCCC(O)(c2cn(C(C)C)nn2)C1.

What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The InChIKey is BAFRYIGSBHAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN6O/c1-11(2)23-9-14(18-20-23)16(24)6-5-7-22(10-16)8-13-12(3)19-21(4)15(13)17/h9,11,24H,5-8,10H2,1-4H3.

What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 352.87 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128979187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).