[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone

C22H23N3O2 — CID 70921389

IUPAC[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC(c3ccccc3)CC2C)cc1
InChIInChI=1S/C22H23N3O2/c1-15-12-18(16-6-4-3-5-7-16)14-25(15)22(26)20-13-23-24-21(20)17-8-10-19(27-2)11-9-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,23,24)
InChIKeyPZRIWQPYRHHWGA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.10
Rot. Bonds4

About [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone (PubChem CID 70921389) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
PubChem CID70921389
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC(c3ccccc3)CC2C)cc1
InChIInChI=1S/C22H23N3O2/c1-15-12-18(16-6-4-3-5-7-16)14-25(15)22(26)20-13-23-24-21(20)17-8-10-19(27-2)11-9-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,23,24)
InChIKeyPZRIWQPYRHHWGA-UHFFFAOYSA-N
XLogP4.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone (CID 70921389) is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone is COc1ccc(-c2[nH]ncc2C(=O)N2CC(c3ccccc3)CC2C)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The InChIKey is PZRIWQPYRHHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-12-18(16-6-4-3-5-7-16)14-25(15)22(26)20-13-23-24-21(20)17-8-10-19(27-2)11-9-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,23,24).
What are the key properties of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 70921389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).