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

C11H12N6 — CID 122420006

IUPAC1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
SMILESCC1Cn2ncc(-n3cc(C#N)cn3)c2CN1
InChIInChI=1S/C11H12N6/c1-8-6-16-10(4-13-8)11(5-15-16)17-7-9(2-12)3-14-17/h3,5,7-8,13H,4,6H2,1H3
InChIKeySVMWVJNNRWCQCG-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.43
Rot. Bonds1

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

1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile (PubChem CID 122420006) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
PubChem CID122420006
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
SMILESCC1Cn2ncc(-n3cc(C#N)cn3)c2CN1
InChIInChI=1S/C11H12N6/c1-8-6-16-10(4-13-8)11(5-15-16)17-7-9(2-12)3-14-17/h3,5,7-8,13H,4,6H2,1H3
InChIKeySVMWVJNNRWCQCG-UHFFFAOYSA-N
XLogP0.43
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
CID 154691076
(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
(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
3-(4-cyanopyrazol-1-yl)-N-(4-fluoro-3-methylphenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121188
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-(2-aminophenyl)pyrazole-4-carbonitrile
CID 84769361
1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
CID 82292110
3-[(6S)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]benzonitrile;hydrochloride
CID 170328233
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 171035213

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile (CID 122420006) is 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile is CC1Cn2ncc(-n3cc(C#N)cn3)c2CN1.
What is the InChIKey of 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is SVMWVJNNRWCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-8-6-16-10(4-13-8)11(5-15-16)17-7-9(2-12)3-14-17/h3,5,7-8,13H,4,6H2,1H3.
What are the key properties of 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile?
1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 122420006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).