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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Related Compounds

5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830
1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine
CID 174805720
6-[5-(3-methoxyphenyl)pyrazol-1-yl]-1H-indazole
CID 70981884
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
5-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole;hydrochloride
CID 21180336
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
1-[[4-chloro-3-(3-methoxyphenyl)cycloocta-1,3-dien-6-yn-1-yl]methyl]pyrrolidine
CID 174011150
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111251740

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).