1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine

C12H19N5 — CID 123474685

IUPAC1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine
SMILESCC=CC(=CC/C=N/C)Cn1ncc(N)c1N
InChIInChI=1S/C12H19N5/c1-3-5-10(6-4-7-15-2)9-17-12(14)11(13)8-16-17/h3,5-8H,4,9,13-14H2,1-2H3/b5-3?,10-6?,15-7+
InChIKeyVIYBDLBFFCHGNT-DJNFGGAXSA-N
MW233.32 g/mol
LogP1.64
Rot. Bonds5

About 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine

1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine (PubChem CID 123474685) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine
PubChem CID123474685
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine
SMILESCC=CC(=CC/C=N/C)Cn1ncc(N)c1N
InChIInChI=1S/C12H19N5/c1-3-5-10(6-4-7-15-2)9-17-12(14)11(13)8-16-17/h3,5-8H,4,9,13-14H2,1-2H3/b5-3?,10-6?,15-7+
InChIKeyVIYBDLBFFCHGNT-DJNFGGAXSA-N
XLogP1.64
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
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

1-[(3E)-5-fluoro-2-methylpenta-1,3-dien-3-yl]pyrazol-3-amine
CID 134596494
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine
CID 131008133
2-Ethylpyrazole-3,4-diamine
CID 12011876
1-Propyl-1H-pyrazole-4,5-diamine
CID 13007233
1-Isopropyl-1h-pyrazole-4,5-diamine
CID 15825513
2-(4,5-Diaminopyrazol-1-yl)ethyl-trimethylazanium
CID 17865204
1-[2-(Dimethylamino)ethyl]pyrazole-4,5-diamine
CID 17957652
1-(1-Aminobut-3-en-2-yl)pyrazole-4,5-diamine
CID 21018095
1-(2-Aminoprop-2-enyl)pyrazole-4,5-diamine
CID 21018096
1-(3-Aminobut-3-enyl)pyrazole-4,5-diamine
CID 21018098
1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine
CID 21018099
1-[(E)-4-aminobut-2-enyl]pyrazole-4,5-diamine
CID 21018100

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine (CID 123474685) is 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine is CC=CC(=CC/C=N/C)Cn1ncc(N)c1N.
What is the InChIKey of 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine?
The InChIKey is VIYBDLBFFCHGNT-DJNFGGAXSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-5-10(6-4-7-15-2)9-17-12(14)11(13)8-16-17/h3,5-8H,4,9,13-14H2,1-2H3/b5-3?,10-6?,15-7+.
What are the key properties of 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine?
1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine is sourced from PubChem (CID 123474685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).