(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H20ClN3O2 — CID 71926758

IUPAC(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-8-15(20-19-11)12-4-3-7-21(10-12)17(22)14-9-13(18)5-6-16(14)23-2/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyLHFAJKTVQSBNKB-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.40
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926758) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926758
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-8-15(20-19-11)12-4-3-7-21(10-12)17(22)14-9-13(18)5-6-16(14)23-2/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyLHFAJKTVQSBNKB-UHFFFAOYSA-N
XLogP3.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926758) is (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LHFAJKTVQSBNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-8-15(20-19-11)12-4-3-7-21(10-12)17(22)14-9-13(18)5-6-16(14)23-2/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,19,20).
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).