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

C19H25F2N3 — CID 45223704

IUPAC1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)Cc1cn[nH]c1C1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H25F2N3/c1-13(2)8-16-10-22-23-19(16)15-4-3-7-24(12-15)11-14-5-6-17(20)9-18(14)21/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,22,23)
InChIKeyKGBYHODQBBPBQV-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.27
Rot. Bonds5

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

1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 45223704) has the molecular formula C19H25F2N3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
PubChem CID45223704
Molecular FormulaC19H25F2N3
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)Cc1cn[nH]c1C1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H25F2N3/c1-13(2)8-16-10-22-23-19(16)15-4-3-7-24(12-15)11-14-5-6-17(20)9-18(14)21/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,22,23)
InChIKeyKGBYHODQBBPBQV-UHFFFAOYSA-N
XLogP4.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 29257242
1-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45219683
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 126466148
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
2-[[3-[4-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 45168258
3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 45171512
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine (CID 45223704) is 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine is CC(C)Cc1cn[nH]c1C1CCCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is KGBYHODQBBPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3/c1-13(2)8-16-10-22-23-19(16)15-4-3-7-24(12-15)11-14-5-6-17(20)9-18(14)21/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,22,23).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 333.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 45223704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).