(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide

C18H23FN4O2 — CID 95904687

IUPAC(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCO[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)C1
InChIInChI=1S/C18H23FN4O2/c1-4-22-7-8-25-17(11-22)18(24)20-14-5-6-16(15(19)10-14)23-13(3)9-12(2)21-23/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeyJRGPXDPFVIBEAE-QGZVFWFLSA-N
MW346.41 g/mol
LogP2.29
Rot. Bonds4

About (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide (PubChem CID 95904687) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide
PubChem CID95904687
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCO[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)C1
InChIInChI=1S/C18H23FN4O2/c1-4-22-7-8-25-17(11-22)18(24)20-14-5-6-16(15(19)10-14)23-13(3)9-12(2)21-23/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeyJRGPXDPFVIBEAE-QGZVFWFLSA-N
XLogP2.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119419896
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-methyl-4-oxocyclohexane-1-carboxamide
CID 127691444
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylsulfanylbutanamide
CID 119293767
1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
CID 110896865
1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102136
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55991390
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55817771

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide (CID 95904687) is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide is CCN1CCO[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)C1.
What is the InChIKey of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide?
The InChIKey is JRGPXDPFVIBEAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-4-22-7-8-25-17(11-22)18(24)20-14-5-6-16(15(19)10-14)23-13(3)9-12(2)21-23/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide?
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 95904687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).