(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

C16H17Cl2N3O2 — CID 67168484

IUPAC(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-10-14(18)15(20-19-10)16(22)21-8-6-13(7-9-21)23-12-4-2-11(17)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,20)
InChIKeyJEOSMGUCGBPYHX-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.71
Rot. Bonds3

About (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (PubChem CID 67168484) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
PubChem CID67168484
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-10-14(18)15(20-19-10)16(22)21-8-6-13(7-9-21)23-12-4-2-11(17)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,20)
InChIKeyJEOSMGUCGBPYHX-UHFFFAOYSA-N
XLogP3.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 166316342
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanone
CID 67168317
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
CID 166335700
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-bromo-1-ethylpyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166338802
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (CID 67168484) is (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1Cl.
What is the InChIKey of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The InChIKey is JEOSMGUCGBPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10-14(18)15(20-19-10)16(22)21-8-6-13(7-9-21)23-12-4-2-11(17)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,20).
What are the key properties of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone has a molecular weight of 354.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 67168484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).