5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole

C21H23N3O — CID 70981613

IUPAC5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
SMILESCOc1cccc(-c2ccnn2-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C21H23N3O/c1-25-20-6-4-5-18(15-20)21-11-12-22-24(21)19-9-7-17(8-10-19)16-23-13-2-3-14-23/h4-12,15H,2-3,13-14,16H2,1H3
InChIKeyDILKOKQXXUHDMF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.14
Rot. Bonds5

About 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole

5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole (PubChem CID 70981613) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
PubChem CID70981613
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
SMILESCOc1cccc(-c2ccnn2-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C21H23N3O/c1-25-20-6-4-5-18(15-20)21-11-12-22-24(21)19-9-7-17(8-10-19)16-23-13-2-3-14-23/h4-12,15H,2-3,13-14,16H2,1H3
InChIKeyDILKOKQXXUHDMF-UHFFFAOYSA-N
XLogP4.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole?
The IUPAC name of 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole (CID 70981613) is 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole is COc1cccc(-c2ccnn2-c2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole?
The InChIKey is DILKOKQXXUHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-25-20-6-4-5-18(15-20)21-11-12-22-24(21)19-9-7-17(8-10-19)16-23-13-2-3-14-23/h4-12,15H,2-3,13-14,16H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole?
5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole has a molecular weight of 333.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole is sourced from PubChem (CID 70981613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).