1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid

C16H19N3O2 — CID 62885515

IUPAC1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-5-4-9-18(11-13)12-14-8-10-19(17-14)15-6-2-1-3-7-15/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,20,21)
InChIKeyJJRXCPRERWIEID-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds4

About 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid

1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 62885515) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID62885515
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-5-4-9-18(11-13)12-14-8-10-19(17-14)15-6-2-1-3-7-15/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,20,21)
InChIKeyJJRXCPRERWIEID-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904187
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
(3S,4S)-1-[(1-phenylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954532
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid (CID 62885515) is 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is JJRXCPRERWIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)13-5-4-9-18(11-13)12-14-8-10-19(17-14)15-6-2-1-3-7-15/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,20,21).
What are the key properties of 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid?
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).