2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide

C13H15N5O — CID 145096974

IUPAC2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide
SMILESC=Cc1nc(C)n(CC(=O)Nc2cn[nH]c2)c1C=C
InChIInChI=1S/C13H15N5O/c1-4-11-12(5-2)18(9(3)16-11)8-13(19)17-10-6-14-15-7-10/h4-7H,1-2,8H2,3H3,(H,14,15)(H,17,19)
InChIKeyQEPQJUWPMQQSSL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.84
Rot. Bonds5

About 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide

2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 145096974) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID145096974
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide
SMILESC=Cc1nc(C)n(CC(=O)Nc2cn[nH]c2)c1C=C
InChIInChI=1S/C13H15N5O/c1-4-11-12(5-2)18(9(3)16-11)8-13(19)17-10-6-14-15-7-10/h4-7H,1-2,8H2,3H3,(H,14,15)(H,17,19)
InChIKeyQEPQJUWPMQQSSL-UHFFFAOYSA-N
XLogP1.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
CID 49495515
1-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66290982
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
CID 63822309
N-(1H-pyrazol-4-yl)hex-5-ynamide
CID 130658950
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
CID 43430674

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide (CID 145096974) is 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide is C=Cc1nc(C)n(CC(=O)Nc2cn[nH]c2)c1C=C.
What is the InChIKey of 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is QEPQJUWPMQQSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-4-11-12(5-2)18(9(3)16-11)8-13(19)17-10-6-14-15-7-10/h4-7H,1-2,8H2,3H3,(H,14,15)(H,17,19).
What are the key properties of 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide?
2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 145096974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).