[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

C16H18ClN3O — CID 46446368

IUPAC[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1
InChIInChI=1S/C16H18ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,18,19)
InChIKeyMGJSJNCDMFQDSS-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.60
Rot. Bonds2

About [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 46446368) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID46446368
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1
InChIInChI=1S/C16H18ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,18,19)
InChIKeyMGJSJNCDMFQDSS-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 46446368) is [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1.
What is the InChIKey of [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MGJSJNCDMFQDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-4-3-7-20(10-11)16(21)15-9-14(18-19-15)12-5-2-6-13(17)8-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,18,19).
What are the key properties of [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46446368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).