[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C17H20ClN3O2 — CID 56812361

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1
InChIInChI=1S/C17H20ClN3O2/c1-17(2)12-20(7-8-23-17)16(22)14-9-19-21(11-14)10-13-5-3-4-6-15(13)18/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyUYJKFEAIIQUHMF-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.84
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 56812361) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID56812361
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1
InChIInChI=1S/C17H20ClN3O2/c1-17(2)12-20(7-8-23-17)16(22)14-9-19-21(11-14)10-13-5-3-4-6-15(13)18/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyUYJKFEAIIQUHMF-UHFFFAOYSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240052
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 39688452
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 31921588
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156929
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 27146910
[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone
CID 94486996

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 56812361) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is UYJKFEAIIQUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-17(2)12-20(7-8-23-17)16(22)14-9-19-21(11-14)10-13-5-3-4-6-15(13)18/h3-6,9,11H,7-8,10,12H2,1-2H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 56812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).