N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide

C13H19N5O — CID 50956675

IUPACN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
SMILESCCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyWYVCUNKKJSGYAJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.08
Rot. Bonds5

About N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide

N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide (PubChem CID 50956675) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
PubChem CID50956675
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
SMILESCCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyWYVCUNKKJSGYAJ-UHFFFAOYSA-N
XLogP1.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazolylpropyl)-2-(5-methyl-3-nitropyrazolyl)acetamide
CID 3106249
N-(4,5-dihydro-1H-pyrazol-3-yl)-N-(8-methylimidazo[1,5-d][1,2,4]triazin-4-yl)acetamide
CID 44292738
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 124078818
N-[3-(1H-imidazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3106238
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 91911663
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-methyl-1H-pyrazole-5-carboxamide
CID 91911718
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 91923174
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 91923839
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-ethyl-1H-pyrazole-5-carboxamide
CID 91923840
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 124039605
N~1~-[2-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)ethyl]-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 124048732

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide (CID 50956675) is N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide is CCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1.
What is the InChIKey of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The InChIKey is WYVCUNKKJSGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19).
What are the key properties of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 50956675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).