2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine

C15H17F2N3O — CID 126808566

IUPAC2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCc1cn[nH]c1CN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H17F2N3O/c1-10-7-18-19-14(10)8-20-4-5-21-15(9-20)11-2-3-12(16)13(17)6-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,18,19)
InChIKeySXMLVVMVOIAIMZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.57
Rot. Bonds3

About 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine

2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine (PubChem CID 126808566) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
PubChem CID126808566
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCc1cn[nH]c1CN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H17F2N3O/c1-10-7-18-19-14(10)8-20-4-5-21-15(9-20)11-2-3-12(16)13(17)6-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,18,19)
InChIKeySXMLVVMVOIAIMZ-UHFFFAOYSA-N
XLogP2.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 126816240
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751685
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432790
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
CID 142767961
[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone
CID 155961412
2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
CID 174794681
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine?
The IUPAC name of 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine (CID 126808566) is 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine is Cc1cn[nH]c1CN1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine?
The InChIKey is SXMLVVMVOIAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-7-18-19-14(10)8-20-4-5-21-15(9-20)11-2-3-12(16)13(17)6-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine?
2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine has a molecular weight of 293.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 126808566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).