4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole

C22H25N3O2 — CID 110268772

IUPAC4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2C2CCCN2CCOc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-26-19-10-5-7-17(15-19)20-16-23-24-22(20)21-11-6-12-25(21)13-14-27-18-8-3-2-4-9-18/h2-5,7-10,15-16,21H,6,11-14H2,1H3,(H,23,24)
InChIKeyNGULUMSNOZMSHH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.30
Rot. Bonds7

About 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole

4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110268772) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
PubChem CID110268772
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2C2CCCN2CCOc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-26-19-10-5-7-17(15-19)20-16-23-24-22(20)21-11-6-12-25(21)13-14-27-18-8-3-2-4-9-18/h2-5,7-10,15-16,21H,6,11-14H2,1H3,(H,23,24)
InChIKeyNGULUMSNOZMSHH-UHFFFAOYSA-N
XLogP4.30
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole (CID 110268772) is 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole is COc1cccc(-c2cn[nH]c2C2CCCN2CCOc2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is NGULUMSNOZMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-19-10-5-7-17(15-19)20-16-23-24-22(20)21-11-6-12-25(21)13-14-27-18-8-3-2-4-9-18/h2-5,7-10,15-16,21H,6,11-14H2,1H3,(H,23,24).
What are the key properties of 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole?
4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 363.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110268772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).