3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile

C9H12N4 — CID 118493387

IUPAC3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
SMILESCCc1n[nH]c2c1CCN(C#N)C2
InChIInChI=1S/C9H12N4/c1-2-8-7-3-4-13(6-10)5-9(7)12-11-8/h2-5H2,1H3,(H,11,12)
InChIKeyIYEZVMNFVGVZMB-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.81
Rot. Bonds1

About 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile

3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile (PubChem CID 118493387) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
PubChem CID118493387
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
SMILESCCc1n[nH]c2c1CCN(C#N)C2
InChIInChI=1S/C9H12N4/c1-2-8-7-3-4-13(6-10)5-9(7)12-11-8/h2-5H2,1H3,(H,11,12)
InChIKeyIYEZVMNFVGVZMB-UHFFFAOYSA-N
XLogP0.81
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile
CID 134224699
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 118493473
3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 144718796
3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
CID 139516319
3-ethyl-5-propan-2-ylsulfonyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 155148604
5-tert-butylsulfonyl-3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 118493359
3-ethyl-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
CID 148725113
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 129081891
3-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
CID 84647022

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The IUPAC name of 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile (CID 118493387) is 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile is CCc1n[nH]c2c1CCN(C#N)C2.
What is the InChIKey of 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The InChIKey is IYEZVMNFVGVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-8-7-3-4-13(6-10)5-9(7)12-11-8/h2-5H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 118493387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).