1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine

C18H31F2N5 — CID 86796782

IUPAC1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(Cc3cn(C)nc3C(F)F)CC2)CC1
InChIInChI=1S/C18H31F2N5/c1-3-6-23-7-4-16(5-8-23)25-11-9-24(10-12-25)14-15-13-22(2)21-17(15)18(19)20/h13,16,18H,3-12,14H2,1-2H3
InChIKeyXIVORLHRVFGUQC-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.35
Rot. Bonds6

About 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine

1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine (PubChem CID 86796782) has the molecular formula C18H31F2N5 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine
PubChem CID86796782
Molecular FormulaC18H31F2N5
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(Cc3cn(C)nc3C(F)F)CC2)CC1
InChIInChI=1S/C18H31F2N5/c1-3-6-23-7-4-16(5-8-23)25-11-9-24(10-12-25)14-15-13-22(2)21-17(15)18(19)20/h13,16,18H,3-12,14H2,1-2H3
InChIKeyXIVORLHRVFGUQC-UHFFFAOYSA-N
XLogP2.35
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine (CID 86796782) is 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine is CCCN1CCC(N2CCN(Cc3cn(C)nc3C(F)F)CC2)CC1.
What is the InChIKey of 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine?
The InChIKey is XIVORLHRVFGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2N5/c1-3-6-23-7-4-16(5-8-23)25-11-9-24(10-12-25)14-15-13-22(2)21-17(15)18(19)20/h13,16,18H,3-12,14H2,1-2H3.
What are the key properties of 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine?
1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine has a molecular weight of 355.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine is sourced from PubChem (CID 86796782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).