(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone

C15H18N4O — CID 110474500

IUPAC(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCC(n3cccn3)C2)cc1
InChIInChI=1S/C15H18N4O/c16-13-6-4-12(5-7-13)15(20)18-9-1-3-14(11-18)19-10-2-8-17-19/h2,4-8,10,14H,1,3,9,11,16H2
InChIKeyXAULHDPAOBPFBK-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.94
Rot. Bonds2

About (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone

(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 110474500) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID110474500
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCC(n3cccn3)C2)cc1
InChIInChI=1S/C15H18N4O/c16-13-6-4-12(5-7-13)15(20)18-9-1-3-14(11-18)19-10-2-8-17-19/h2,4-8,10,14H,1,3,9,11,16H2
InChIKeyXAULHDPAOBPFBK-UHFFFAOYSA-N
XLogP1.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
N-methyl-5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 95273055
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone (CID 110474500) is (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone is Nc1ccc(C(=O)N2CCCC(n3cccn3)C2)cc1.
What is the InChIKey of (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is XAULHDPAOBPFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-6-4-12(5-7-13)15(20)18-9-1-3-14(11-18)19-10-2-8-17-19/h2,4-8,10,14H,1,3,9,11,16H2.
What are the key properties of (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110474500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).