[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C21H27FN4O2 — CID 126776183

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCCC2CN2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2/c1-16-20(14-23-26(16)18-7-5-17(22)6-8-18)21(27)25-9-3-2-4-19(25)15-24-10-12-28-13-11-24/h5-8,14,19H,2-4,9-13,15H2,1H3
InChIKeyATLVAQJNRZXFEY-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.65
Rot. Bonds4

About [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126776183) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID126776183
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCCC2CN2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2/c1-16-20(14-23-26(16)18-7-5-17(22)6-8-18)21(27)25-9-3-2-4-19(25)15-24-10-12-28-13-11-24/h5-8,14,19H,2-4,9-13,15H2,1H3
InChIKeyATLVAQJNRZXFEY-UHFFFAOYSA-N
XLogP2.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 126783721
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59264675
(2S)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 95977610
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 82187883
(4aR,7aS)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684198
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 39678742
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 125179954

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 126776183) is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCCC2CN2CCOCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ATLVAQJNRZXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-16-20(14-23-26(16)18-7-5-17(22)6-8-18)21(27)25-9-3-2-4-19(25)15-24-10-12-28-13-11-24/h5-8,14,19H,2-4,9-13,15H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 386.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126776183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).