(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

C18H21FN4O2 — CID 125169503

IUPAC(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-22-17(10-15(21-22)12-2-3-12)20-18(24)23-8-9-25-16(11-23)13-4-6-14(19)7-5-13/h4-7,10,12,16H,2-3,8-9,11H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyDQSKFKYBDWIARG-MRXNPFEDSA-N
MW344.39 g/mol
LogP3.04
Rot. Bonds3

About (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 125169503) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID125169503
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-22-17(10-15(21-22)12-2-3-12)20-18(24)23-8-9-25-16(11-23)13-4-6-14(19)7-5-13/h4-7,10,12,16H,2-3,8-9,11H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyDQSKFKYBDWIARG-MRXNPFEDSA-N
XLogP3.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 125177108
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 94119926
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
methyl 3-(dimethylamino)-4-[[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]amino]benzoate
CID 100618515
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 125169503) is (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is Cn1nc(C2CC2)cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is DQSKFKYBDWIARG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-17(10-15(21-22)12-2-3-12)20-18(24)23-8-9-25-16(11-23)13-4-6-14(19)7-5-13/h4-7,10,12,16H,2-3,8-9,11H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 125169503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).