1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide

C13H15N3O2 — CID 84593077

IUPAC1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CCn2cc(C(N)=O)cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-18-12-4-2-10(3-5-12)6-7-16-9-11(8-15-16)13(14)17/h2-5,8-9H,6-7H2,1H3,(H2,14,17)
InChIKeyRUEKOXKCWAURDT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide

1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 84593077) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID84593077
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CCn2cc(C(N)=O)cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-18-12-4-2-10(3-5-12)6-7-16-9-11(8-15-16)13(14)17/h2-5,8-9H,6-7H2,1H3,(H2,14,17)
InChIKeyRUEKOXKCWAURDT-UHFFFAOYSA-N
XLogP1.23
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide (CID 84593077) is 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide is COc1ccc(CCn2cc(C(N)=O)cn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is RUEKOXKCWAURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-12-4-2-10(3-5-12)6-7-16-9-11(8-15-16)13(14)17/h2-5,8-9H,6-7H2,1H3,(H2,14,17).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 84593077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).