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

C10H13N5 — CID 143843824

IUPAC5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile
SMILESCC/C=C\C(=C/N)n1ncc(C#N)c1N
InChIInChI=1S/C10H13N5/c1-2-3-4-9(6-12)15-10(13)8(5-11)7-14-15/h3-4,6-7H,2,12-13H2,1H3/b4-3-,9-6+
InChIKeyPBSIVPYFXTZYCF-ZNUQQGBJSA-N
MW203.25 g/mol
LogP1.06
Rot. Bonds3

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

5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile (PubChem CID 143843824) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile
PubChem CID143843824
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile
SMILESCC/C=C\C(=C/N)n1ncc(C#N)c1N
InChIInChI=1S/C10H13N5/c1-2-3-4-9(6-12)15-10(13)8(5-11)7-14-15/h3-4,6-7H,2,12-13H2,1H3/b4-3-,9-6+
InChIKeyPBSIVPYFXTZYCF-ZNUQQGBJSA-N
XLogP1.06
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
1-Allyl-5-amino-1H-pyrazole-4-carbonitrile
CID 10773123
[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
CID 21337557
1-(1,2-Dihydropyridin-5-yl)-5-(methylideneamino)pyrazole-4-carbonitrile
CID 68197312
5-amino-1-[(1E,3Z)-1-(2-iodo-4-methylcyclobutyl)penta-1,3-dien-2-yl]pyrazole-4-carbonitrile
CID 89160652
5-amino-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrazole-4-carbonitrile
CID 89160765
1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
CID 89178782
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
3-Amino-1-hexa-2,4-dien-2-ylpyrazole-4-carbonitrile
CID 90690952
2-[(4-Cyano-1-cyclohepta-1,4,6-trien-1-ylpyrazol-3-yl)iminomethyl]propanedinitrile
CID 91103076
3-Amino-1-(7-methylidenecycloocta-1,4-dien-1-yl)pyrazole-4-carbonitrile
CID 91512932

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile (CID 143843824) is 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile is CC/C=C\C(=C/N)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile?
The InChIKey is PBSIVPYFXTZYCF-ZNUQQGBJSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-3-4-9(6-12)15-10(13)8(5-11)7-14-15/h3-4,6-7H,2,12-13H2,1H3/b4-3-,9-6+.
What are the key properties of 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile?
5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 143843824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).