4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole

C14H25N3 — CID 66466975

IUPAC4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
SMILESCCCn1cc(C2(C(C)(C)C)CCCN2)cn1
InChIInChI=1S/C14H25N3/c1-5-9-17-11-12(10-16-17)14(13(2,3)4)7-6-8-15-14/h10-11,15H,5-9H2,1-4H3
InChIKeyFTYYBRUQGYWPDC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole

4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole (PubChem CID 66466975) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole.

Molecular Properties

Compound Name4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
PubChem CID66466975
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
SMILESCCCn1cc(C2(C(C)(C)C)CCCN2)cn1
InChIInChI=1S/C14H25N3/c1-5-9-17-11-12(10-16-17)14(13(2,3)4)7-6-8-15-14/h10-11,15H,5-9H2,1-4H3
InChIKeyFTYYBRUQGYWPDC-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole?
The IUPAC name of 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole (CID 66466975) is 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole.
What is the SMILES notation for 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole?
The canonical SMILES for 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole is CCCn1cc(C2(C(C)(C)C)CCCN2)cn1.
What is the InChIKey of 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole?
The InChIKey is FTYYBRUQGYWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-17-11-12(10-16-17)14(13(2,3)4)7-6-8-15-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole?
4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole is sourced from PubChem (CID 66466975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).