2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide

C14H16N4O — CID 79285096

IUPAC2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESC=CCNCC(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H16N4O/c1-2-7-15-10-14(19)17-12-5-3-4-11(9-12)13-6-8-16-18-13/h2-6,8-9,15H,1,7,10H2,(H,16,18)(H,17,19)
InChIKeyCGAVZSLIQFYRIS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.79
Rot. Bonds6

About 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide

2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide (PubChem CID 79285096) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
PubChem CID79285096
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESC=CCNCC(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H16N4O/c1-2-7-15-10-14(19)17-12-5-3-4-11(9-12)13-6-8-16-18-13/h2-6,8-9,15H,1,7,10H2,(H,16,18)(H,17,19)
InChIKeyCGAVZSLIQFYRIS-UHFFFAOYSA-N
XLogP1.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide
CID 143464434
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
2-(4-ethoxyphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808558
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
N-[3-[[4-(prop-2-enoylamino)benzoyl]amino]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 139478873

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide (CID 79285096) is 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide is C=CCNCC(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The InChIKey is CGAVZSLIQFYRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-7-15-10-14(19)17-12-5-3-4-11(9-12)13-6-8-16-18-13/h2-6,8-9,15H,1,7,10H2,(H,16,18)(H,17,19).
What are the key properties of 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 79285096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).