3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

C23H32N4O3 — CID 55749074

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H32N4O3/c1-16(2)15-27-18(4)21(17(3)25-27)8-9-22(28)24-20-7-5-6-19(14-20)23(29)26-10-12-30-13-11-26/h5-7,14,16H,8-13,15H2,1-4H3,(H,24,28)
InChIKeyUNRRJWBEJICWJR-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.20
Rot. Bonds7

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 55749074) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID55749074
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H32N4O3/c1-16(2)15-27-18(4)21(17(3)25-27)8-9-22(28)24-20-7-5-6-19(14-20)23(29)26-10-12-30-13-11-26/h5-7,14,16H,8-13,15H2,1-4H3,(H,24,28)
InChIKeyUNRRJWBEJICWJR-UHFFFAOYSA-N
XLogP3.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]propanamide
CID 55887219
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 46674654
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507565
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (CID 55749074) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is UNRRJWBEJICWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16(2)15-27-18(4)21(17(3)25-27)8-9-22(28)24-20-7-5-6-19(14-20)23(29)26-10-12-30-13-11-26/h5-7,14,16H,8-13,15H2,1-4H3,(H,24,28).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 55749074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).