3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide

C19H22N4O3 — CID 1223934

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCc1c(C=CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cnn1C
InChIInChI=1S/C19H22N4O3/c1-14-16(13-20-22(14)2)5-8-18(24)21-17-6-3-15(4-7-17)19(25)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyFCZZARHBWXZVIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.85
Rot. Bonds4

About 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide

3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide (PubChem CID 1223934) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
PubChem CID1223934
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCc1c(C=CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cnn1C
InChIInChI=1S/C19H22N4O3/c1-14-16(13-20-22(14)2)5-8-18(24)21-17-6-3-15(4-7-17)19(25)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyFCZZARHBWXZVIS-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 76884317
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
(E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763700
1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 72882272
(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
CID 55797078
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763760
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469
4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
CID 17195011
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide (CID 1223934) is 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide is Cc1c(C=CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The InChIKey is FCZZARHBWXZVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-16(13-20-22(14)2)5-8-18(24)21-17-6-3-15(4-7-17)19(25)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).