(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile

C12H15N5O — CID 154691076

IUPAC(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
SMILESC[C@H]1Cn2ncc(N3C[C@@H](C#N)CC3=O)c2CN1
InChIInChI=1S/C12H15N5O/c1-8-6-17-11(4-14-8)10(5-15-17)16-7-9(3-13)2-12(16)18/h5,8-9,14H,2,4,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyVISQAOAOKRWEIB-DTWKUNHWSA-N
MW245.29 g/mol
LogP0.25
Rot. Bonds1

About (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile

(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 154691076) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID154691076
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
SMILESC[C@H]1Cn2ncc(N3C[C@@H](C#N)CC3=O)c2CN1
InChIInChI=1S/C12H15N5O/c1-8-6-17-11(4-14-8)10(5-15-17)16-7-9(3-13)2-12(16)18/h5,8-9,14H,2,4,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyVISQAOAOKRWEIB-DTWKUNHWSA-N
XLogP0.25
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one
CID 142799181
4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 122420091
1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
CID 122420006
(4S)-4,5,5-trimethyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazolidin-2-one
CID 145440438
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 134182612
3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol
CID 134182633
1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 79786447
(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121484618
(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonitrile
CID 42260431
4-(4-cyano-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 107794229
1-[2-cyano-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carbonitrile
CID 115911729

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile (CID 154691076) is (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile is C[C@H]1Cn2ncc(N3C[C@@H](C#N)CC3=O)c2CN1.
What is the InChIKey of (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is VISQAOAOKRWEIB-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-6-17-11(4-14-8)10(5-15-17)16-7-9(3-13)2-12(16)18/h5,8-9,14H,2,4,6-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile?
(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 154691076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).