3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid

C16H19N3O2 — CID 117459649

IUPAC3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2CN2CCCCC2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-7-3-2-6-12(13)11-19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,18)(H,20,21)
InChIKeyNNZUVOKEVVQELL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117459649) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117459649
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2CN2CCCCC2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-7-3-2-6-12(13)11-19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,18)(H,20,21)
InChIKeyNNZUVOKEVVQELL-UHFFFAOYSA-N
XLogP2.76
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111275
3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117373132
5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117358203
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117433260
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19333590
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136932425

Frequently Asked Questions

What is the IUPAC name of 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117459649) is 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2CN2CCCCC2)n[nH]1.
What is the InChIKey of 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is NNZUVOKEVVQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-7-3-2-6-12(13)11-19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,18)(H,20,21).
What are the key properties of 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 285.35 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 3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117459649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).