3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine

C12H21N3O — CID 66643148

IUPAC3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(CC2CCCO2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-11(13)15(14-10)8-9-5-4-6-16-9/h7,9H,4-6,8,13H2,1-3H3
InChIKeyRPSIJWPBGHRMQR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.94
Rot. Bonds2

About 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine

3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine (PubChem CID 66643148) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine
PubChem CID66643148
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(CC2CCCO2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-11(13)15(14-10)8-9-5-4-6-16-9/h7,9H,4-6,8,13H2,1-3H3
InChIKeyRPSIJWPBGHRMQR-UHFFFAOYSA-N
XLogP1.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine (CID 66643148) is 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine is CC(C)(C)c1cc(N)n(CC2CCCO2)n1.
What is the InChIKey of 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The InChIKey is RPSIJWPBGHRMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10-7-11(13)15(14-10)8-9-5-4-6-16-9/h7,9H,4-6,8,13H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 66643148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).