N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C16H19FN4O2 — CID 71969911

IUPACN-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)Nc3ccccc3F)CCO2)cn1
InChIInChI=1S/C16H19FN4O2/c1-16(12-9-18-20(2)10-12)11-21(7-8-23-16)15(22)19-14-6-4-3-5-13(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyXXTCVCUHPMLWNP-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.34
Rot. Bonds2

About N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 71969911) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID71969911
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)Nc3ccccc3F)CCO2)cn1
InChIInChI=1S/C16H19FN4O2/c1-16(12-9-18-20(2)10-12)11-21(7-8-23-16)15(22)19-14-6-4-3-5-13(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyXXTCVCUHPMLWNP-UHFFFAOYSA-N
XLogP2.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 136564392
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 97099387
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119900547
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 136514945
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942831
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 71969911) is N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is Cn1cc(C2(C)CN(C(=O)Nc3ccccc3F)CCO2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is XXTCVCUHPMLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-16(12-9-18-20(2)10-12)11-21(7-8-23-16)15(22)19-14-6-4-3-5-13(14)17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 71969911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).