4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole

C11H19N3 — CID 58477498

IUPAC4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-8-12-13-10(9)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyFPTPEWPATAGYGR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.31
Rot. Bonds1

About 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole

4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole (PubChem CID 58477498) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
PubChem CID58477498
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-8-12-13-10(9)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyFPTPEWPATAGYGR-UHFFFAOYSA-N
XLogP2.31
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole?
The IUPAC name of 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole (CID 58477498) is 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole.
What is the SMILES notation for 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole?
The canonical SMILES for 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole is CC(C)(C)c1cn[nH]c1N1CCCC1.
What is the InChIKey of 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole?
The InChIKey is FPTPEWPATAGYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)9-8-12-13-10(9)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole?
4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole has a molecular weight of 193.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole is sourced from PubChem (CID 58477498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).