(3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C17H23N9O — CID 72904810

About (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72904810) has the molecular formula C17H23N9O and a molecular weight of 369.43 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
• PubChem CID: 72904810
• Molecular Formula: C17H23N9O
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.20
• IUPAC Name: (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
• SMILES: CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cc(N)n[nH]2)CC1
• InChI: InChI=1S/C17H23N9O/c1-2-26-15(10-24-8-5-19-11-24)22-23-16(26)12-3-6-25(7-4-12)17(27)13-9-14(18)21-20-13/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H3,18,20,21)
• InChIKey: WDRZOEBWTUQZDK-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 123.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72904810) is (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cc(N)n[nH]2)CC1.

What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?

The InChIKey is WDRZOEBWTUQZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9O/c1-2-26-15(10-24-8-5-19-11-24)22-23-16(26)12-3-6-25(7-4-12)17(27)13-9-14(18)21-20-13/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H3,18,20,21).

What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?

(3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72904810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).