(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C14H20F3N3O — CID 72846153

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H20F3N3O/c1-3-6-20-10(2)12(9-18-20)13(21)19-7-4-11(5-8-19)14(15,16)17/h9,11H,3-8H2,1-2H3
InChIKeyVCYGOBVNBXTWHY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.02
Rot. Bonds3

About (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 72846153) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID72846153
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H20F3N3O/c1-3-6-20-10(2)12(9-18-20)13(21)19-7-4-11(5-8-19)14(15,16)17/h9,11H,3-8H2,1-2H3
InChIKeyVCYGOBVNBXTWHY-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 72846153) is (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is CCCn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VCYGOBVNBXTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-6-20-10(2)12(9-18-20)13(21)19-7-4-11(5-8-19)14(15,16)17/h9,11H,3-8H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 303.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72846153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).