5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile

C10H11N5 — CID 143859578

IUPAC5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile
SMILESC=C/C(=C\N=C\C)n1ncc(C#N)c1N
InChIInChI=1S/C10H11N5/c1-3-9(7-13-4-2)15-10(12)8(5-11)6-14-15/h3-4,6-7H,1,12H2,2H3/b9-7+,13-4+
InChIKeyGXAGWMBRHYVETK-CKLXFCMWSA-N
MW201.23 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile

5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile (PubChem CID 143859578) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile
PubChem CID143859578
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile
SMILESC=C/C(=C\N=C\C)n1ncc(C#N)c1N
InChIInChI=1S/C10H11N5/c1-3-9(7-13-4-2)15-10(12)8(5-11)6-14-15/h3-4,6-7H,1,12H2,2H3/b9-7+,13-4+
InChIKeyGXAGWMBRHYVETK-CKLXFCMWSA-N
XLogP1.41
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
CID 219740
5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
5-amino-1-cyclopropyl-1H-pyrazole-4-carbonitrile
CID 42609129
1-(tert-butyl)-4-methyl-1H-pyrazol-5-amine
CID 72211777
5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile
CID 335150
5-Amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile
CID 84652987
3-Amino-1-prop-2-enylpyrazole-4-carbonitrile
CID 10582924
5-amino-1-(3-methylbutyl)-1H-pyrazole-4-carbonitrile
CID 10631170
5-Amino-1-butylpyrazole-4-carbonitrile
CID 10702172
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile (CID 143859578) is 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile is C=C/C(=C\N=C\C)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The InChIKey is GXAGWMBRHYVETK-CKLXFCMWSA-N. The full InChI is InChI=1S/C10H11N5/c1-3-9(7-13-4-2)15-10(12)8(5-11)6-14-15/h3-4,6-7H,1,12H2,2H3/b9-7+,13-4+.
What are the key properties of 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile?
5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 143859578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).