1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid

C17H20FN3O2 — CID 122125464

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-11-6-13(17(22)23)9-21(8-11)10-14-7-19-20-16(14)12-2-4-15(18)5-3-12/h2-5,7,11,13H,6,8-10H2,1H3,(H,19,20)(H,22,23)
InChIKeyWLPXTRSILRLJEC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.76
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125464) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122125464
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-11-6-13(17(22)23)9-21(8-11)10-14-7-19-20-16(14)12-2-4-15(18)5-3-12/h2-5,7,11,13H,6,8-10H2,1H3,(H,19,20)(H,22,23)
InChIKeyWLPXTRSILRLJEC-UHFFFAOYSA-N
XLogP2.76
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 156604706
[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
CID 91915686
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
2-methoxy-2-[1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 166295176
1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119923
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid (CID 122125464) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2cn[nH]c2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WLPXTRSILRLJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-6-13(17(22)23)9-21(8-11)10-14-7-19-20-16(14)12-2-4-15(18)5-3-12/h2-5,7,11,13H,6,8-10H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 317.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).