[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C17H24N6O — CID 29124389

IUPAC[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C17H24N6O/c1-3-22-16(10-12(2)19-22)17(24)21-8-6-14(7-9-21)23-11-15(18-20-23)13-4-5-13/h10-11,13-14H,3-9H2,1-2H3
InChIKeyWAPQGMRCLJIUGK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds4

About [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 29124389) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID29124389
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C17H24N6O/c1-3-22-16(10-12(2)19-22)17(24)21-8-6-14(7-9-21)23-11-15(18-20-23)13-4-5-13/h10-11,13-14H,3-9H2,1-2H3
InChIKeyWAPQGMRCLJIUGK-UHFFFAOYSA-N
XLogP2.16
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 29124389) is [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CCC(n2cc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is WAPQGMRCLJIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-22-16(10-12(2)19-22)17(24)21-8-6-14(7-9-21)23-11-15(18-20-23)13-4-5-13/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 29124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).