(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H17ClN4O — CID 63658805

IUPAC(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNc1cccc(Cl)c1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H17ClN4O/c16-11-4-1-5-12(17)14(11)15(21)20-8-2-3-10(9-20)13-6-7-18-19-13/h1,4-7,10H,2-3,8-9,17H2,(H,18,19)
InChIKeyCVGHTPXGZGIPFL-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.67
Rot. Bonds2

About (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 63658805) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID63658805
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNc1cccc(Cl)c1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H17ClN4O/c16-11-4-1-5-12(17)14(11)15(21)20-8-2-3-10(9-20)13-6-7-18-19-13/h1,4-7,10H,2-3,8-9,17H2,(H,18,19)
InChIKeyCVGHTPXGZGIPFL-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

(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61109383
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 63658805) is (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Nc1cccc(Cl)c1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CVGHTPXGZGIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-4-1-5-12(17)14(11)15(21)20-8-2-3-10(9-20)13-6-7-18-19-13/h1,4-7,10H,2-3,8-9,17H2,(H,18,19).
What are the key properties of (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-amino-6-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 (2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 63658805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).