2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C11H14N6O — CID 139455164

IUPAC2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(N)nn2c1NC(N1CCC(O)C1)C=C2
InChIInChI=1S/C11H14N6O/c12-5-8-10(13)15-17-4-2-9(14-11(8)17)16-3-1-7(18)6-16/h2,4,7,9,14,18H,1,3,6H2,(H2,13,15)
InChIKeyBCTXBKYKBFNKOY-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.37
Rot. Bonds1

About 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 139455164) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID139455164
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(N)nn2c1NC(N1CCC(O)C1)C=C2
InChIInChI=1S/C11H14N6O/c12-5-8-10(13)15-17-4-2-9(14-11(8)17)16-3-1-7(18)6-16/h2,4,7,9,14,18H,1,3,6H2,(H2,13,15)
InChIKeyBCTXBKYKBFNKOY-UHFFFAOYSA-N
XLogP-0.37
TPSA103.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 139455164) is 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(N)nn2c1NC(N1CCC(O)C1)C=C2.
What is the InChIKey of 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BCTXBKYKBFNKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-5-8-10(13)15-17-4-2-9(14-11(8)17)16-3-1-7(18)6-16/h2,4,7,9,14,18H,1,3,6H2,(H2,13,15).
What are the key properties of 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-hydroxypyrrolidin-1-yl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 139455164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).