(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H21F3N4O — CID 72898512

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C14H21F3N4O/c1-3-4-21-11(2)12(9-18-21)13(22)20-7-5-19(6-8-20)10-14(15,16)17/h9H,3-8,10H2,1-2H3
InChIKeyNXLDWRUVIQNAKS-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.92
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 72898512) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID72898512
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C14H21F3N4O/c1-3-4-21-11(2)12(9-18-21)13(22)20-7-5-19(6-8-20)10-14(15,16)17/h9H,3-8,10H2,1-2H3
InChIKeyNXLDWRUVIQNAKS-UHFFFAOYSA-N
XLogP1.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 72898512) is (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CCCn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is NXLDWRUVIQNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-3-4-21-11(2)12(9-18-21)13(22)20-7-5-19(6-8-20)10-14(15,16)17/h9H,3-8,10H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 318.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 72898512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).