N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide

C11H17N5 — CID 143574863

IUPACN'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)c1cnn(C)c1NC
InChIInChI=1S/C11H17N5/c1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h5-7,13H,1H2,2-4H3,(H2,12,14)/b6-5-
InChIKeyWHJJXIDDJLIIOF-WAYWQWQTSA-N
MW219.29 g/mol
LogP1.37
Rot. Bonds4

About N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide

N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide (PubChem CID 143574863) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
PubChem CID143574863
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)c1cnn(C)c1NC
InChIInChI=1S/C11H17N5/c1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h5-7,13H,1H2,2-4H3,(H2,12,14)/b6-5-
InChIKeyWHJJXIDDJLIIOF-WAYWQWQTSA-N
XLogP1.37
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine dihydrochloride
CID 17961976
4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine
CID 17961977
4-(2-Aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731476
4-(3-Aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731826
N-[(1Z)-3-(3-iodo-1-propan-2-ylpyrazol-4-yl)buta-1,3-dienyl]-N'-propylethanimidamide
CID 89204112
N,1-dimethyl-4-prop-1-en-2-ylpyrazol-5-amine
CID 91044586
4-ethenyl-N,1-dimethylpyrazol-5-amine
CID 123431681
1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine
CID 123962212
4-ethyl-1-[(1Z,3Z)-penta-1,3-dienyl]pyrazol-5-amine
CID 132171439
(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine
CID 134386288
N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine
CID 135253336
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide (CID 143574863) is N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide is C=C(/C=C\N=C(/C)N)c1cnn(C)c1NC.
What is the InChIKey of N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The InChIKey is WHJJXIDDJLIIOF-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h5-7,13H,1H2,2-4H3,(H2,12,14)/b6-5-.
What are the key properties of N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide has a molecular weight of 219.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 143574863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).