3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine

C13H23N3O — CID 66698361

IUPAC3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine
SMILESC[C@H]1CCC(Cn2nc(C(C)(C)C)cc2N)O1
InChIInChI=1S/C13H23N3O/c1-9-5-6-10(17-9)8-16-12(14)7-11(15-16)13(2,3)4/h7,9-10H,5-6,8,14H2,1-4H3/t9-,10?/m0/s1
InChIKeyFXYRTMSKGYTOGN-RGURZIINSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds2

About 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine

3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine (PubChem CID 66698361) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine
PubChem CID66698361
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine
SMILESC[C@H]1CCC(Cn2nc(C(C)(C)C)cc2N)O1
InChIInChI=1S/C13H23N3O/c1-9-5-6-10(17-9)8-16-12(14)7-11(15-16)13(2,3)4/h7,9-10H,5-6,8,14H2,1-4H3/t9-,10?/m0/s1
InChIKeyFXYRTMSKGYTOGN-RGURZIINSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.33
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-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine (CID 66698361) is 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine is C[C@H]1CCC(Cn2nc(C(C)(C)C)cc2N)O1.
What is the InChIKey of 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine?
The InChIKey is FXYRTMSKGYTOGN-RGURZIINSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-5-6-10(17-9)8-16-12(14)7-11(15-16)13(2,3)4/h7,9-10H,5-6,8,14H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of 3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine?
3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine has a molecular weight of 237.35 g/mol, XLogP of 2.33, 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-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine is sourced from PubChem (CID 66698361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).