5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile

C9H9N5 — CID 143859469

IUPAC5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2C=CCC=N2)c1N
InChIInChI=1S/C9H9N5/c10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8/h1,3-4,6,8H,2,11H2
InChIKeyZRFLJPMOFAWIGO-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.87
Rot. Bonds1

About 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile

5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile (PubChem CID 143859469) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile
PubChem CID143859469
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2C=CCC=N2)c1N
InChIInChI=1S/C9H9N5/c10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8/h1,3-4,6,8H,2,11H2
InChIKeyZRFLJPMOFAWIGO-UHFFFAOYSA-N
XLogP0.87
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile
CID 335150
5-Amino-1-(2-fluoroethyl)pyrazole-4-carbonitrile
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5-Amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile
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3-Amino-1-prop-2-enylpyrazole-4-carbonitrile
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5-amino-1-(3-methylbutyl)-1H-pyrazole-4-carbonitrile
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5-Amino-1-butylpyrazole-4-carbonitrile
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5-amino-1-propyl-1H-pyrazole-4-carbonitrile
CID 10725518
1-Allyl-5-amino-1H-pyrazole-4-carbonitrile
CID 10773123
5-Amino-1-ethyl-1H-pyrazole-4-carbonitrile
CID 10796792
1H-Pyrazole-4-carbonitrile, 5-amino-1-pentyl-
CID 10921082
5-Amino-1-(pent-3-ynyl)-4-cyanopyrazole
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5-Amino-1-pentan-3-ylpyrazole-4-carbonitrile
CID 17960367

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile (CID 143859469) is 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C2C=CCC=N2)c1N.
What is the InChIKey of 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is ZRFLJPMOFAWIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8/h1,3-4,6,8H,2,11H2.
What are the key properties of 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dihydropyridin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 143859469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).