3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole

C14H25N3 — CID 104688096

IUPAC3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCn1cc(CC2(C)CCCN2)c(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-13(2,3)12-11(10-17(5)16-12)9-14(4)7-6-8-15-14/h10,15H,6-9H2,1-5H3
InChIKeyZZJAJGKRFXUUFJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.40
Rot. Bonds2

About 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole

3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 104688096) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID104688096
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
SMILESCn1cc(CC2(C)CCCN2)c(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-13(2,3)12-11(10-17(5)16-12)9-14(4)7-6-8-15-14/h10,15H,6-9H2,1-5H3
InChIKeyZZJAJGKRFXUUFJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole (CID 104688096) is 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is Cn1cc(CC2(C)CCCN2)c(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is ZZJAJGKRFXUUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)12-11(10-17(5)16-12)9-14(4)7-6-8-15-14/h10,15H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole?
3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 104688096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).