1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole

C20H27N3 — CID 25070560

IUPAC1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole
SMILESCc1nn(C)c(C)c1-c1cccc2c1CCC(N1CCCC1)C2
InChIInChI=1S/C20H27N3/c1-14-20(15(2)22(3)21-14)19-8-6-7-16-13-17(9-10-18(16)19)23-11-4-5-12-23/h6-8,17H,4-5,9-13H2,1-3H3
InChIKeyGNEBPUFNWTUYMF-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.66
Rot. Bonds2

About 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole

1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole (PubChem CID 25070560) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole
PubChem CID25070560
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole
SMILESCc1nn(C)c(C)c1-c1cccc2c1CCC(N1CCCC1)C2
InChIInChI=1S/C20H27N3/c1-14-20(15(2)22(3)21-14)19-8-6-7-16-13-17(9-10-18(16)19)23-11-4-5-12-23/h6-8,17H,4-5,9-13H2,1-3H3
InChIKeyGNEBPUFNWTUYMF-UHFFFAOYSA-N
XLogP3.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.66
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-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole (CID 25070560) is 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole is Cc1nn(C)c(C)c1-c1cccc2c1CCC(N1CCCC1)C2.
What is the InChIKey of 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole?
The InChIKey is GNEBPUFNWTUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-14-20(15(2)22(3)21-14)19-8-6-7-16-13-17(9-10-18(16)19)23-11-4-5-12-23/h6-8,17H,4-5,9-13H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole?
1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole has a molecular weight of 309.46 g/mol, XLogP of 3.66, 2 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-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole is sourced from PubChem (CID 25070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).