3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole

C14H25N3 — CID 163839077

IUPAC3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CCN(C(C)C(C)C)C2)n1
InChIInChI=1S/C14H25N3/c1-10(2)13(5)16-7-6-14(9-16)17-12(4)8-11(3)15-17/h8,10,13-14H,6-7,9H2,1-5H3
InChIKeyOKHZQSAJPUIHBF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds3

About 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole

3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole (PubChem CID 163839077) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
PubChem CID163839077
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CCN(C(C)C(C)C)C2)n1
InChIInChI=1S/C14H25N3/c1-10(2)13(5)16-7-6-14(9-16)17-12(4)8-11(3)15-17/h8,10,13-14H,6-7,9H2,1-5H3
InChIKeyOKHZQSAJPUIHBF-UHFFFAOYSA-N
XLogP2.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole (CID 163839077) is 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole is Cc1cc(C)n(C2CCN(C(C)C(C)C)C2)n1.
What is the InChIKey of 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole?
The InChIKey is OKHZQSAJPUIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13(5)16-7-6-14(9-16)17-12(4)8-11(3)15-17/h8,10,13-14H,6-7,9H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 163839077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).