[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone

C17H20ClN3O2 — CID 17458669

IUPAC[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCc1nn(-c2ccc(C(=O)N3CCOC(C)C3)cc2)c(C)c1Cl
InChIInChI=1S/C17H20ClN3O2/c1-11-10-20(8-9-23-11)17(22)14-4-6-15(7-5-14)21-13(3)16(18)12(2)19-21/h4-7,11H,8-10H2,1-3H3
InChIKeyXMOJYRLUKPYOIG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.00
Rot. Bonds2

About [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone

[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 17458669) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
PubChem CID17458669
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCc1nn(-c2ccc(C(=O)N3CCOC(C)C3)cc2)c(C)c1Cl
InChIInChI=1S/C17H20ClN3O2/c1-11-10-20(8-9-23-11)17(22)14-4-6-15(7-5-14)21-13(3)16(18)12(2)19-21/h4-7,11H,8-10H2,1-3H3
InChIKeyXMOJYRLUKPYOIG-UHFFFAOYSA-N
XLogP3.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92768506
[2-[[1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]triazol-4-yl]methyl]morpholin-4-yl]-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 166354092
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 18287222
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl]methanone
CID 171359325
[(3R)-2-oxooxolan-3-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 40985896
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
3-[4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76907103
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119412812
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 18074468

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone (CID 17458669) is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone is Cc1nn(-c2ccc(C(=O)N3CCOC(C)C3)cc2)c(C)c1Cl.
What is the InChIKey of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is XMOJYRLUKPYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-10-20(8-9-23-11)17(22)14-4-6-15(7-5-14)21-13(3)16(18)12(2)19-21/h4-7,11H,8-10H2,1-3H3.
What are the key properties of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 17458669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).