[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

C19H19F2N5O2 — CID 166318488

IUPAC[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2CN(C(=O)c3cnn(C)c3-c3ccc(F)cc3F)CCO2)cn1
InChIInChI=1S/C19H19F2N5O2/c1-24-10-12(8-22-24)17-11-26(5-6-28-17)19(27)15-9-23-25(2)18(15)14-4-3-13(20)7-16(14)21/h3-4,7-10,17H,5-6,11H2,1-2H3
InChIKeyDXMMQCDRORFSKZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.31
Rot. Bonds3

About [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 166318488) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID166318488
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2CN(C(=O)c3cnn(C)c3-c3ccc(F)cc3F)CCO2)cn1
InChIInChI=1S/C19H19F2N5O2/c1-24-10-12(8-22-24)17-11-26(5-6-28-17)19(27)15-9-23-25(2)18(15)14-4-3-13(20)7-16(14)21/h3-4,7-10,17H,5-6,11H2,1-2H3
InChIKeyDXMMQCDRORFSKZ-UHFFFAOYSA-N
XLogP2.31
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
CID 96534639
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
3-[2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]benzoic acid
CID 120550787
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120930576
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719
1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one
CID 177151489
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688
[2-(4-fluorophenyl)morpholin-4-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56540662
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (CID 166318488) is [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is Cn1cc(C2CN(C(=O)c3cnn(C)c3-c3ccc(F)cc3F)CCO2)cn1.
What is the InChIKey of [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is DXMMQCDRORFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-24-10-12(8-22-24)17-11-26(5-6-28-17)19(27)15-9-23-25(2)18(15)14-4-3-13(20)7-16(14)21/h3-4,7-10,17H,5-6,11H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 387.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 166318488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).