1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine

C11H20N4 — CID 114697624

IUPAC1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)(C)c1cc(N2CCC(N)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-6-10(14-13-9)15-5-4-8(12)7-15/h6,8H,4-5,7,12H2,1-3H3,(H,13,14)
InChIKeyOSIBIOOFZBADFG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.24
Rot. Bonds1

About 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine

1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 114697624) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
PubChem CID114697624
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)(C)c1cc(N2CCC(N)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-6-10(14-13-9)15-5-4-8(12)7-15/h6,8H,4-5,7,12H2,1-3H3,(H,13,14)
InChIKeyOSIBIOOFZBADFG-UHFFFAOYSA-N
XLogP1.24
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine (CID 114697624) is 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine is CC(C)(C)c1cc(N2CCC(N)C2)n[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is OSIBIOOFZBADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)9-6-10(14-13-9)15-5-4-8(12)7-15/h6,8H,4-5,7,12H2,1-3H3,(H,13,14).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 114697624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).