2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid

C15H17N3O2 — CID 142699348

IUPAC2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-8-9-16-18(14)13-6-4-12(5-7-13)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H,19,20)
InChIKeyMZBSAXMROGZOGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid

2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid (PubChem CID 142699348) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
PubChem CID142699348
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-8-9-16-18(14)13-6-4-12(5-7-13)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H,19,20)
InChIKeyMZBSAXMROGZOGB-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
carbamic acid;1-phenylpiperidine
CID 161473217
2-(4-pyrrolidin-1-ylphenyl)triazole
CID 168515524
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
CID 20982103
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid (CID 142699348) is 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1-c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is MZBSAXMROGZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)14-8-9-16-18(14)13-6-4-12(5-7-13)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H,19,20).
What are the key properties of 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid?
2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 142699348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).