[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C17H26N6O — CID 72910721

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C17H26N6O/c1-4-23-16(10-14(20-23)9-13(2)3)17(24)21-7-5-15(6-8-21)22-11-18-19-12-22/h10-13,15H,4-9H2,1-3H3
InChIKeyRZFWAXNSLJVSHX-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.17
Rot. Bonds5

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 72910721) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID72910721
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C17H26N6O/c1-4-23-16(10-14(20-23)9-13(2)3)17(24)21-7-5-15(6-8-21)22-11-18-19-12-22/h10-13,15H,4-9H2,1-3H3
InChIKeyRZFWAXNSLJVSHX-UHFFFAOYSA-N
XLogP2.17
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 72910721) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cnnc2)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is RZFWAXNSLJVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-23-16(10-14(20-23)9-13(2)3)17(24)21-7-5-15(6-8-21)22-11-18-19-12-22/h10-13,15H,4-9H2,1-3H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 330.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72910721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).