1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

C18H23F2N3 — CID 56714115

IUPAC1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)[nH]n1
InChIInChI=1S/C18H23F2N3/c1-12(2)17-10-18(22-21-17)14-3-5-23(6-4-14)11-13-7-15(19)9-16(20)8-13/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKeyCEXFJKJRKCQKLF-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.19
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56714115) has the molecular formula C18H23F2N3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56714115
Molecular FormulaC18H23F2N3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)[nH]n1
InChIInChI=1S/C18H23F2N3/c1-12(2)17-10-18(22-21-17)14-3-5-23(6-4-14)11-13-7-15(19)9-16(20)8-13/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKeyCEXFJKJRKCQKLF-UHFFFAOYSA-N
XLogP4.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56714115) is 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cc(C2CCN(Cc3cc(F)cc(F)c3)CC2)[nH]n1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is CEXFJKJRKCQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3/c1-12(2)17-10-18(22-21-17)14-3-5-23(6-4-14)11-13-7-15(19)9-16(20)8-13/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,22).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 319.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56714115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).