(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H17ClN4O — CID 61109383

IUPAC(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c16-13-8-11(17)3-4-12(13)15(21)20-7-1-2-10(9-20)14-5-6-18-19-14/h3-6,8,10H,1-2,7,9,17H2,(H,18,19)
InChIKeyZIXANWVUVQKOIL-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.67
Rot. Bonds2

About (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 61109383) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID61109383
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c16-13-8-11(17)3-4-12(13)15(21)20-7-1-2-10(9-20)14-5-6-18-19-14/h3-6,8,10H,1-2,7,9,17H2,(H,18,19)
InChIKeyZIXANWVUVQKOIL-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 63658805
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 61109383) is (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZIXANWVUVQKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-8-11(17)3-4-12(13)15(21)20-7-1-2-10(9-20)14-5-6-18-19-14/h3-6,8,10H,1-2,7,9,17H2,(H,18,19).
What are the key properties of (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 61109383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).