4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine

C18H22FN5O — CID 95265252

IUPAC4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
SMILESCN1N=C(c2ccc(N3CCOCC3)c(F)c2)C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H22FN5O/c1-22-12-14(11-20-22)18-10-16(21-23(18)2)13-3-4-17(15(19)9-13)24-5-7-25-8-6-24/h3-4,9,11-12,18H,5-8,10H2,1-2H3/t18-/m1/s1
InChIKeyJFAKJDISKQMOPI-GOSISDBHSA-N
MW343.41 g/mol
LogP2.18
Rot. Bonds3

About 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine

4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine (PubChem CID 95265252) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
PubChem CID95265252
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
SMILESCN1N=C(c2ccc(N3CCOCC3)c(F)c2)C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H22FN5O/c1-22-12-14(11-20-22)18-10-16(21-23(18)2)13-3-4-17(15(19)9-13)24-5-7-25-8-6-24/h3-4,9,11-12,18H,5-8,10H2,1-2H3/t18-/m1/s1
InChIKeyJFAKJDISKQMOPI-GOSISDBHSA-N
XLogP2.18
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129007096
1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one
CID 94809445
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 143585924
4-[2-fluoro-4-(4-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine
CID 118668772
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
3-(3-fluoro-4-morpholin-4-ylphenyl)-N-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70975005
1-[5-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 168719887
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 126768067
4-[(3S)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51428308
2-(3,4-difluorophenyl)-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95570853
[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117445862
N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine (CID 95265252) is 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine is CN1N=C(c2ccc(N3CCOCC3)c(F)c2)C[C@@H]1c1cnn(C)c1.
What is the InChIKey of 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The InChIKey is JFAKJDISKQMOPI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-22-12-14(11-20-22)18-10-16(21-23(18)2)13-3-4-17(15(19)9-13)24-5-7-25-8-6-24/h3-4,9,11-12,18H,5-8,10H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine has a molecular weight of 343.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 95265252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).