4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine

C17H26F3N3 — CID 155207501

IUPAC4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
SMILESCCCc1cnn(C2(C)CCN(CC3(C(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C17H26F3N3/c1-3-4-14-11-21-23(12-14)15(2)7-9-22(10-8-15)13-16(5-6-16)17(18,19)20/h11-12H,3-10,13H2,1-2H3
InChIKeyQBSDEZCSTQQWMK-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.99
Rot. Bonds5

About 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine

4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine (PubChem CID 155207501) has the molecular formula C17H26F3N3 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
PubChem CID155207501
Molecular FormulaC17H26F3N3
Molecular Weight329.41 g/mol
Exact Mass329.21
IUPAC Name4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
SMILESCCCc1cnn(C2(C)CCN(CC3(C(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C17H26F3N3/c1-3-4-14-11-21-23(12-14)15(2)7-9-22(10-8-15)13-16(5-6-16)17(18,19)20/h11-12H,3-10,13H2,1-2H3
InChIKeyQBSDEZCSTQQWMK-UHFFFAOYSA-N
XLogP3.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine (CID 155207501) is 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine is CCCc1cnn(C2(C)CCN(CC3(C(F)(F)F)CC3)CC2)c1.
What is the InChIKey of 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The InChIKey is QBSDEZCSTQQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3/c1-3-4-14-11-21-23(12-14)15(2)7-9-22(10-8-15)13-16(5-6-16)17(18,19)20/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine has a molecular weight of 329.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 155207501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).