2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide

C19H17N5O2 — CID 135884192

IUPAC2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c12
InChIInChI=1S/C19H17N5O2/c1-12-17-19(24(23-12)14-5-3-2-4-6-14)22-18(21-17)13-7-9-15(10-8-13)26-11-16(20)25/h2-10H,11H2,1H3,(H2,20,25)(H,21,22)
InChIKeyHUNQBANRIOJMSX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide

2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide (PubChem CID 135884192) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide
PubChem CID135884192
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c12
InChIInChI=1S/C19H17N5O2/c1-12-17-19(24(23-12)14-5-3-2-4-6-14)22-18(21-17)13-7-9-15(10-8-13)26-11-16(20)25/h2-10H,11H2,1H3,(H2,20,25)(H,21,22)
InChIKeyHUNQBANRIOJMSX-UHFFFAOYSA-N
XLogP2.59
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetic acid
CID 91174450
2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 1259059
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120
potassium;hydride;2-phenoxyacetamide
CID 175513799
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 9428459
4-(4-methoxyphenyl)-3-methyl-6-(2-oxopropoxy)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 7023171
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 38928933
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23879160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide (CID 135884192) is 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide is Cc1nn(-c2ccccc2)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c12.
What is the InChIKey of 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide?
The InChIKey is HUNQBANRIOJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-17-19(24(23-12)14-5-3-2-4-6-14)22-18(21-17)13-7-9-15(10-8-13)26-11-16(20)25/h2-10H,11H2,1H3,(H2,20,25)(H,21,22).
What are the key properties of 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide?
2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 135884192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).