(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H16F3N3O2 — CID 134160468

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O2/c1-17-7-9(10(16-17)20-2)11(19)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyIPHLFMHJWNDBJD-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.84
Rot. Bonds2

About (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 134160468) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID134160468
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O2/c1-17-7-9(10(16-17)20-2)11(19)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyIPHLFMHJWNDBJD-UHFFFAOYSA-N
XLogP1.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 134160468) is (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is IPHLFMHJWNDBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-17-7-9(10(16-17)20-2)11(19)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 291.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 134160468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).