(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol

C14H20N4O — CID 104892904

IUPAC(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1cc2c(N3CC[C@H](O)C3)nccn2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)12-8-11-13(15-5-7-18(11)16-12)17-6-4-10(19)9-17/h5,7-8,10,19H,4,6,9H2,1-3H3/t10-/m0/s1
InChIKeyAMXUIUVVUNJKID-JTQLQIEISA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds1

About (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol

(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol (PubChem CID 104892904) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
PubChem CID104892904
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1cc2c(N3CC[C@H](O)C3)nccn2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)12-8-11-13(15-5-7-18(11)16-12)17-6-4-10(19)9-17/h5,7-8,10,19H,4,6,9H2,1-3H3/t10-/m0/s1
InChIKeyAMXUIUVVUNJKID-JTQLQIEISA-N
XLogP1.60
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol (CID 104892904) is (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol is CC(C)(C)c1cc2c(N3CC[C@H](O)C3)nccn2n1.
What is the InChIKey of (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The InChIKey is AMXUIUVVUNJKID-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)12-8-11-13(15-5-7-18(11)16-12)17-6-4-10(19)9-17/h5,7-8,10,19H,4,6,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol has a molecular weight of 260.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104892904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).