[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C19H26N4O2 — CID 70725322

IUPAC[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)11-15-12-18(22(3)21-15)19(24)23-9-6-16(7-10-23)25-17-5-4-8-20-13-17/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3
InChIKeyHUXHWURZMNMRBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds5

About [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 70725322) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID70725322
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)11-15-12-18(22(3)21-15)19(24)23-9-6-16(7-10-23)25-17-5-4-8-20-13-17/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3
InChIKeyHUXHWURZMNMRBL-UHFFFAOYSA-N
XLogP2.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 70725322) is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is CC(C)Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)n(C)n1.
What is the InChIKey of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is HUXHWURZMNMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)11-15-12-18(22(3)21-15)19(24)23-9-6-16(7-10-23)25-17-5-4-8-20-13-17/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3.
What are the key properties of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 70725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).