N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide

C22H27FN4O3 — CID 155964497

IUPACN-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1COCCN1C(=O)c1cc(C2CCC2)[nH]n1
InChIInChI=1S/C22H27FN4O3/c23-17-7-4-15(5-8-17)6-9-21(28)24-13-18-14-30-11-10-27(18)22(29)20-12-19(25-26-20)16-2-1-3-16/h4-5,7-8,12,16,18H,1-3,6,9-11,13-14H2,(H,24,28)(H,25,26)
InChIKeyJUNAUQIHFMKAOL-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.41
Rot. Bonds7

About N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide

N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 155964497) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID155964497
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1COCCN1C(=O)c1cc(C2CCC2)[nH]n1
InChIInChI=1S/C22H27FN4O3/c23-17-7-4-15(5-8-17)6-9-21(28)24-13-18-14-30-11-10-27(18)22(29)20-12-19(25-26-20)16-2-1-3-16/h4-5,7-8,12,16,18H,1-3,6,9-11,13-14H2,(H,24,28)(H,25,26)
InChIKeyJUNAUQIHFMKAOL-UHFFFAOYSA-N
XLogP2.41
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide with MolForge

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Related Compounds

3-amino-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578135
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 124608812
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
CID 129324258
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone
CID 126790639
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide (CID 155964497) is N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCC1COCCN1C(=O)c1cc(C2CCC2)[nH]n1.
What is the InChIKey of N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is JUNAUQIHFMKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c23-17-7-4-15(5-8-17)6-9-21(28)24-13-18-14-30-11-10-27(18)22(29)20-12-19(25-26-20)16-2-1-3-16/h4-5,7-8,12,16,18H,1-3,6,9-11,13-14H2,(H,24,28)(H,25,26).
What are the key properties of N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide?
N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 414.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 155964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).