N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C19H21FN4O3 — CID 91945356

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2cnn(CC3CC3)c2)C1c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-23-16(25)11-27-18(17(23)13-4-6-14(20)7-5-13)19(26)22-15-8-21-24(10-15)9-12-2-3-12/h4-8,10,12,17-18H,2-3,9,11H2,1H3,(H,22,26)
InChIKeyQPKQMXJSBUAURM-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.97
Rot. Bonds5

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 91945356) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID91945356
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2cnn(CC3CC3)c2)C1c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-23-16(25)11-27-18(17(23)13-4-6-14(20)7-5-13)19(26)22-15-8-21-24(10-15)9-12-2-3-12/h4-8,10,12,17-18H,2-3,9,11H2,1H3,(H,22,26)
InChIKeyQPKQMXJSBUAURM-UHFFFAOYSA-N
XLogP1.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 110279329
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 97457632
(2S,3S)-N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457578
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559
(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97458161
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 91945356) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)COC(C(=O)Nc2cnn(CC3CC3)c2)C1c1ccc(F)cc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is QPKQMXJSBUAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-23-16(25)11-27-18(17(23)13-4-6-14(20)7-5-13)19(26)22-15-8-21-24(10-15)9-12-2-3-12/h4-8,10,12,17-18H,2-3,9,11H2,1H3,(H,22,26).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 91945356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).