(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C15H17ClN4O — CID 110451467

IUPAC(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-4-1-3-12(14(13)17)15(21)19-9-5-11(6-10-19)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10,17H2
InChIKeyDREFGFRIXYGJTR-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.60
Rot. Bonds2

About (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 110451467) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID110451467
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-4-1-3-12(14(13)17)15(21)19-9-5-11(6-10-19)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10,17H2
InChIKeyDREFGFRIXYGJTR-UHFFFAOYSA-N
XLogP2.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.60
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

(4-pyrazol-1-ylpiperidin-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 99616335
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
(2-amino-3-chlorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 115540648
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210913
4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 138005104
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 110451467) is (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Nc1c(Cl)cccc1C(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is DREFGFRIXYGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-4-1-3-12(14(13)17)15(21)19-9-5-11(6-10-19)20-8-2-7-18-20/h1-4,7-8,11H,5-6,9-10,17H2.
What are the key properties of (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110451467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).