3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

C23H34N4O3 — CID 17471893

IUPAC3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCOc1cccc(-n2nc(C)c(CCC(=O)NCC(C)(C)N3CCOCC3)c2C)c1
InChIInChI=1S/C23H34N4O3/c1-17-21(18(2)27(25-17)19-7-6-8-20(15-19)29-5)9-10-22(28)24-16-23(3,4)26-11-13-30-14-12-26/h6-8,15H,9-14,16H2,1-5H3,(H,24,28)
InChIKeyGHXSMBBLIKSVSN-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.66
Rot. Bonds8

About 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (PubChem CID 17471893) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
PubChem CID17471893
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCOc1cccc(-n2nc(C)c(CCC(=O)NCC(C)(C)N3CCOCC3)c2C)c1
InChIInChI=1S/C23H34N4O3/c1-17-21(18(2)27(25-17)19-7-6-8-20(15-19)29-5)9-10-22(28)24-16-23(3,4)26-11-13-30-14-12-26/h6-8,15H,9-14,16H2,1-5H3,(H,24,28)
InChIKeyGHXSMBBLIKSVSN-UHFFFAOYSA-N
XLogP2.66
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472
1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]thiourea
CID 9426041
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53069596
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
N'-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoyl]furan-2-carbohydrazide
CID 9367140
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42850635
[(2R)-1-amino-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732968
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 9225743

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (CID 17471893) is 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is COc1cccc(-n2nc(C)c(CCC(=O)NCC(C)(C)N3CCOCC3)c2C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The InChIKey is GHXSMBBLIKSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17-21(18(2)27(25-17)19-7-6-8-20(15-19)29-5)9-10-22(28)24-16-23(3,4)26-11-13-30-14-12-26/h6-8,15H,9-14,16H2,1-5H3,(H,24,28).
What are the key properties of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide has a molecular weight of 414.55 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 17471893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).