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

C16H19N3O2 — CID 117459650

IUPAC3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(CN3CCCCC3)c2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-6-4-5-12(9-13)11-19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8,11H2,(H,17,18)(H,20,21)
InChIKeyNNNZYFNVQVCBSI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.76
Rot. Bonds4

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

3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117459650) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117459650
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(CN3CCCCC3)c2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-6-4-5-12(9-13)11-19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8,11H2,(H,17,18)(H,20,21)
InChIKeyNNNZYFNVQVCBSI-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-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459649
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111283
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514998
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111319
azepan-1-yl-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 46920429

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117459650) is 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(CN3CCCCC3)c2)n[nH]1.
What is the InChIKey of 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is NNNZYFNVQVCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)15-10-14(17-18-15)13-6-4-5-12(9-13)11-19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8,11H2,(H,17,18)(H,20,21).
What are the key properties of 3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[3-(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-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117459650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).