1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole

C21H29N3 — CID 16666835

IUPAC1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
SMILESCc1nn(C)c(C)c1-c1ccc(C2CC(N3CCCC3C)C2)cc1
InChIInChI=1S/C21H29N3/c1-14-6-5-11-24(14)20-12-19(13-20)17-7-9-18(10-8-17)21-15(2)22-23(4)16(21)3/h7-10,14,19-20H,5-6,11-13H2,1-4H3
InChIKeyVEJRERCSXGMAKQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.43
Rot. Bonds3

About 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole

1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole (PubChem CID 16666835) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
PubChem CID16666835
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
SMILESCc1nn(C)c(C)c1-c1ccc(C2CC(N3CCCC3C)C2)cc1
InChIInChI=1S/C21H29N3/c1-14-6-5-11-24(14)20-12-19(13-20)17-7-9-18(10-8-17)21-15(2)22-23(4)16(21)3/h7-10,14,19-20H,5-6,11-13H2,1-4H3
InChIKeyVEJRERCSXGMAKQ-UHFFFAOYSA-N
XLogP4.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole (CID 16666835) is 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole is Cc1nn(C)c(C)c1-c1ccc(C2CC(N3CCCC3C)C2)cc1.
What is the InChIKey of 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole?
The InChIKey is VEJRERCSXGMAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-14-6-5-11-24(14)20-12-19(13-20)17-7-9-18(10-8-17)21-15(2)22-23(4)16(21)3/h7-10,14,19-20H,5-6,11-13H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole?
1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole has a molecular weight of 323.48 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole is sourced from PubChem (CID 16666835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).