N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide

C13H15N3O3 — CID 5309781

IUPACN-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc(NC(C)=O)n[nH]2)c1
InChIInChI=1S/C13H15N3O3/c1-8(17)14-13-7-12(15-16-13)9-4-10(18-2)6-11(5-9)19-3/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyBRWUKJWSYVXABV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds4

About N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide

N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 5309781) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID5309781
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc(NC(C)=O)n[nH]2)c1
InChIInChI=1S/C13H15N3O3/c1-8(17)14-13-7-12(15-16-13)9-4-10(18-2)6-11(5-9)19-3/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyBRWUKJWSYVXABV-UHFFFAOYSA-N
XLogP2.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide (CID 5309781) is N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide is COc1cc(OC)cc(-c2cc(NC(C)=O)n[nH]2)c1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is BRWUKJWSYVXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(17)14-13-7-12(15-16-13)9-4-10(18-2)6-11(5-9)19-3/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 5309781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).