N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide

C12H13N3O2 — CID 47148567

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyPJHSABWABHMUSJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.74
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide

N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 47148567) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
PubChem CID47148567
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyPJHSABWABHMUSJ-UHFFFAOYSA-N
XLogP1.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 2-bromobenzoate
CID 71823666
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
N-(5-methyl-1H-pyrazol-3-yl)-2-(1-phenylcyclopropyl)acetamide
CID 167932932
N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]-2-phenoxyacetamide
CID 110735692
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide (CID 47148567) is N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is PJHSABWABHMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 231.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 47148567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).