N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide

C15H17N3O — CID 170489404

IUPACN-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-13(19)16-10-6-5-7-14-11-17-18(12-14)15-8-3-2-4-9-15/h2-5,7-9,11-12H,6,10H2,1H3,(H,16,19)
InChIKeyYDPHRHHAKXBDQV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.41
Rot. Bonds5

About N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide

N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide (PubChem CID 170489404) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
PubChem CID170489404
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-13(19)16-10-6-5-7-14-11-17-18(12-14)15-8-3-2-4-9-15/h2-5,7-9,11-12H,6,10H2,1H3,(H,16,19)
InChIKeyYDPHRHHAKXBDQV-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(1-phenylpyrazol-4-yl)but-3-enyl] ethanethioate
CID 170480845
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
4-(3-chloroprop-1-enyl)-1-phenylpyrazole
CID 79335752
N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 79340247
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide (CID 170489404) is N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide?
The InChIKey is YDPHRHHAKXBDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-13(19)16-10-6-5-7-14-11-17-18(12-14)15-8-3-2-4-9-15/h2-5,7-9,11-12H,6,10H2,1H3,(H,16,19).
What are the key properties of N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide?
N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170489404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).