3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C22H23N3O3 — CID 24818146

IUPAC3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H23N3O3/c1-27-18-11-9-16(10-12-18)21-20(22(26)23-14-19-8-5-13-28-19)15-25(24-21)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,26)
InChIKeyGVCRNZSHIKLJGN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.46
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24818146) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24818146
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H23N3O3/c1-27-18-11-9-16(10-12-18)21-20(22(26)23-14-19-8-5-13-28-19)15-25(24-21)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,26)
InChIKeyGVCRNZSHIKLJGN-UHFFFAOYSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 24818146) is 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GVCRNZSHIKLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-11-9-16(10-12-18)21-20(22(26)23-14-19-8-5-13-28-19)15-25(24-21)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24818146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).