(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide

C19H24N4O — CID 146098115

IUPAC(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C19H24N4O/c1-21(2)12-6-9-19(24)22(17-10-11-17)14-16-13-20-23(15-16)18-7-4-3-5-8-18/h3-9,13,15,17H,10-12,14H2,1-2H3/b9-6+
InChIKeyBCXNUVZAISGTMX-RMKNXTFCSA-N
MW324.43 g/mol
LogP2.48
Rot. Bonds7

About (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide

(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide (PubChem CID 146098115) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
PubChem CID146098115
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C19H24N4O/c1-21(2)12-6-9-19(24)22(17-10-11-17)14-16-13-20-23(15-16)18-7-4-3-5-8-18/h3-9,13,15,17H,10-12,14H2,1-2H3/b9-6+
InChIKeyBCXNUVZAISGTMX-RMKNXTFCSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 131902906
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35367805
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide (CID 146098115) is (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide is CN(C)C/C=C/C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide?
The InChIKey is BCXNUVZAISGTMX-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21(2)12-6-9-19(24)22(17-10-11-17)14-16-13-20-23(15-16)18-7-4-3-5-8-18/h3-9,13,15,17H,10-12,14H2,1-2H3/b9-6+.
What are the key properties of (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide?
(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide is sourced from PubChem (CID 146098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).