[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C22H23ClN4O2 — CID 71559937

IUPAC[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
InChIKeyOLDJOUOYWYORKE-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.94
Rot. Bonds4

About [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71559937) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71559937
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
InChIKeyOLDJOUOYWYORKE-UHFFFAOYSA-N
XLogP4.94
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 71561754
5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 71561753
1-[(3R)-3-[3-[4-(3-chlorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465310
[5-(2-Fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71559936
[5-(2-Chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561365
[5-(2,3-Dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561366
[5-(2,3-Difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561367
[5-(2,4-Dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561368
[5-(2-Chloro-4-methylphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561370
(1,3-Dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561502
[5-(2,3-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 71561504
[1,3-Dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561614

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71559937) is [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is OLDJOUOYWYORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3.
What are the key properties of [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 410.91 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71559937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).