4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide

C23H24N4O4 — CID 19412227

IUPAC4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cnn(C)c2C(N)=O)cc1COc1cccc(C)c1
InChIInChI=1S/C23H24N4O4/c1-15-5-4-6-18(11-15)31-14-17-12-16(7-9-20(17)30-3)8-10-21(28)26-19-13-25-27(2)22(19)23(24)29/h4-13H,14H2,1-3H3,(H2,24,29)(H,26,28)/b10-8+
InChIKeyWDGVJIZGZGJBQH-CSKARUKUSA-N
MW420.47 g/mol
LogP3.07
Rot. Bonds8

About 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide

4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412227) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412227
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cnn(C)c2C(N)=O)cc1COc1cccc(C)c1
InChIInChI=1S/C23H24N4O4/c1-15-5-4-6-18(11-15)31-14-17-12-16(7-9-20(17)30-3)8-10-21(28)26-19-13-25-27(2)22(19)23(24)29/h4-13H,14H2,1-3H3,(H2,24,29)(H,26,28)/b10-8+
InChIKeyWDGVJIZGZGJBQH-CSKARUKUSA-N
XLogP3.07
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396217
(E)-N-(1,3-dimethylpyrazol-4-yl)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19346055
(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19346342
(E)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19346517
(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19284536
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336206
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19322741
(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19400883
(E)-N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19287263
(E)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19395496
(E)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19325737
(E)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19345301

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide (CID 19412227) is 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide is COc1ccc(/C=C/C(=O)Nc2cnn(C)c2C(N)=O)cc1COc1cccc(C)c1.
What is the InChIKey of 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is WDGVJIZGZGJBQH-CSKARUKUSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-5-4-6-18(11-15)31-14-17-12-16(7-9-20(17)30-3)8-10-21(28)26-19-13-25-27(2)22(19)23(24)29/h4-13H,14H2,1-3H3,(H2,24,29)(H,26,28)/b10-8+.
What are the key properties of 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).