3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C21H19FN4O3 — CID 1068285

IUPAC3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN4O3/c22-16-6-4-5-15(13-16)20(27)24-19-18(21(28)25-9-11-29-12-10-25)14-23-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,27)
InChIKeyKAWJNDFFNDNGBI-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.74
Rot. Bonds4

About 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1068285) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1068285
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN4O3/c22-16-6-4-5-15(13-16)20(27)24-19-18(21(28)25-9-11-29-12-10-25)14-23-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,27)
InChIKeyKAWJNDFFNDNGBI-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
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4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylprop-1-ynyl)benzoyl]pyrazole
CID 9953051
1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11531595
1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11567867
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-piperidin-1-ylprop-1-ynyl)phenyl]methanone
CID 11675748
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
18-[3-(Piperazine-1-carbonyl)anilino]-2,8,16,17,19,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
CID 135907028
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 146675161
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylpropyl)benzoyl]pyrazole
CID 11640131
N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 45273566

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1068285) is 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is KAWJNDFFNDNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-6-4-5-15(13-16)20(27)24-19-18(21(28)25-9-11-29-12-10-25)14-23-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,27).
What are the key properties of 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 394.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1068285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).