1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide

C19H19N3O2 — CID 98479345

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CCn2cc(C(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-16-9-7-14(8-10-16)11-12-22-13-17(19(20)23)18(21-22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,20,23)
InChIKeyZHOUCMKMBYKCQX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 98479345) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID98479345
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CCn2cc(C(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-16-9-7-14(8-10-16)11-12-22-13-17(19(20)23)18(21-22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,20,23)
InChIKeyZHOUCMKMBYKCQX-UHFFFAOYSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
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]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide (CID 98479345) is 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide is COc1ccc(CCn2cc(C(N)=O)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is ZHOUCMKMBYKCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-16-9-7-14(8-10-16)11-12-22-13-17(19(20)23)18(21-22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,20,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.90, 6 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]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 98479345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).