[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C18H27N5O2 — CID 110105248

IUPAC[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1
InChIInChI=1S/C18H27N5O2/c1-12(2)8-14-9-15(22(5)20-14)18(24)23-6-7-25-16(11-23)17-19-13(3)10-21(17)4/h9-10,12,16H,6-8,11H2,1-5H3
InChIKeyJWRVWKSKPGBYLQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.87
Rot. Bonds4

About [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 110105248) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID110105248
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1
InChIInChI=1S/C18H27N5O2/c1-12(2)8-14-9-15(22(5)20-14)18(24)23-6-7-25-16(11-23)17-19-13(3)10-21(17)4/h9-10,12,16H,6-8,11H2,1-5H3
InChIKeyJWRVWKSKPGBYLQ-UHFFFAOYSA-N
XLogP1.87
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 56757209
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105329
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 50963218

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 110105248) is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is Cc1cn(C)c(C2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is JWRVWKSKPGBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)8-14-9-15(22(5)20-14)18(24)23-6-7-25-16(11-23)17-19-13(3)10-21(17)4/h9-10,12,16H,6-8,11H2,1-5H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 110105248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).