(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide

C23H25N3O — CID 97428954

IUPAC(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C\C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O/c1-17-9-8-10-20(15-17)13-14-23(27)25(4)16-22-18(2)24-26(19(22)3)21-11-6-5-7-12-21/h5-15H,16H2,1-4H3/b14-13-
InChIKeyCAWIJQPIXDALTQ-YPKPFQOOSA-N
MW359.47 g/mol
LogP4.47
Rot. Bonds5

About (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide

(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide (PubChem CID 97428954) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
PubChem CID97428954
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C\C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O/c1-17-9-8-10-20(15-17)13-14-23(27)25(4)16-22-18(2)24-26(19(22)3)21-11-6-5-7-12-21/h5-15H,16H2,1-4H3/b14-13-
InChIKeyCAWIJQPIXDALTQ-YPKPFQOOSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-cyanophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 9118596
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9140685
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26116522
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,3-dimethylthiourea
CID 9218554

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide (CID 97428954) is (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C\C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is CAWIJQPIXDALTQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-9-8-10-20(15-17)13-14-23(27)25(4)16-22-18(2)24-26(19(22)3)21-11-6-5-7-12-21/h5-15H,16H2,1-4H3/b14-13-.
What are the key properties of (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide?
(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 97428954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).