[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

C17H21ClN4O — CID 119490627

IUPAC[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1
InChIInChI=1S/C17H21ClN4O/c1-12-16(17(23)21-9-3-4-14(10-21)19-2)11-22(20-12)15-7-5-13(18)6-8-15/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyFUCJDJPBWFLBHK-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.66
Rot. Bonds3

About [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119490627) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119490627
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1
InChIInChI=1S/C17H21ClN4O/c1-12-16(17(23)21-9-3-4-14(10-21)19-2)11-22(20-12)15-7-5-13(18)6-8-15/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyFUCJDJPBWFLBHK-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560888
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
CID 119411305
3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124697243
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 97253157
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124574837
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491249
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119490627) is [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1.
What is the InChIKey of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is FUCJDJPBWFLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-16(17(23)21-9-3-4-14(10-21)19-2)11-22(20-12)15-7-5-13(18)6-8-15/h5-8,11,14,19H,3-4,9-10H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 332.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119490627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).