(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide

C19H24N4O — CID 146097735

IUPAC(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C19H24N4O/c1-22(2)12-3-4-19(24)20-14-15-5-9-17(10-6-15)23-13-11-18(21-23)16-7-8-16/h3-6,9-11,13,16H,7-8,12,14H2,1-2H3,(H,20,24)/b4-3+
InChIKeyXDYFJGVNVYYYCQ-ONEGZZNKSA-N
MW324.43 g/mol
LogP2.48
Rot. Bonds7

About (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide

(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide (PubChem CID 146097735) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide
PubChem CID146097735
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C19H24N4O/c1-22(2)12-3-4-19(24)20-14-15-5-9-17(10-6-15)23-13-11-18(21-23)16-7-8-16/h3-6,9-11,13,16H,7-8,12,14H2,1-2H3,(H,20,24)/b4-3+
InChIKeyXDYFJGVNVYYYCQ-ONEGZZNKSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide
CID 146106040
(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
CID 146097994
1-[4-(chloromethyl)phenyl]-3-cyclopropylpyrazole
CID 62489182
(E)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146097758
(E)-N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(dimethylamino)but-2-enamide
CID 146097947
4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
CID 129140009
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone
CID 79167207
(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 55184071
N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106533150
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methanol
CID 62488140
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62489650

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide?
The IUPAC name of (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide (CID 146097735) is (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide.
What is the SMILES notation for (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide?
The canonical SMILES for (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide is CN(C)C/C=C/C(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1.
What is the InChIKey of (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide?
The InChIKey is XDYFJGVNVYYYCQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(2)12-3-4-19(24)20-14-15-5-9-17(10-6-15)23-13-11-18(21-23)16-7-8-16/h3-6,9-11,13,16H,7-8,12,14H2,1-2H3,(H,20,24)/b4-3+.
What are the key properties of (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide?
(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide is sourced from PubChem (CID 146097735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).