1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole

C12H21N3 — CID 84734214

IUPAC1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCC(C)(C)n1cc(CC2CCCN2)cn1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-9-10(8-14-15)7-11-5-4-6-13-11/h8-9,11,13H,4-7H2,1-3H3
InChIKeyJARJAOLERYMRLW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.93
Rot. Bonds2

About 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole

1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 84734214) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID84734214
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCC(C)(C)n1cc(CC2CCCN2)cn1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-9-10(8-14-15)7-11-5-4-6-13-11/h8-9,11,13H,4-7H2,1-3H3
InChIKeyJARJAOLERYMRLW-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
1-tert-butyl-4-pyrrolidin-2-ylpyrazole
CID 155175834
1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
2-methyl-6-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84784857
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole (CID 84734214) is 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole is CC(C)(C)n1cc(CC2CCCN2)cn1.
What is the InChIKey of 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is JARJAOLERYMRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)15-9-10(8-14-15)7-11-5-4-6-13-11/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole?
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 84734214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).