N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide

C16H17N7 — CID 143465308

IUPACN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
SMILESC=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C
InChIInChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21)
InChIKeyADLBDAZESBHJCE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.22
Rot. Bonds4

About N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide

N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide (PubChem CID 143465308) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
PubChem CID143465308
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
SMILESC=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C
InChIInChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21)
InChIKeyADLBDAZESBHJCE-UHFFFAOYSA-N
XLogP2.22
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The IUPAC name of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide (CID 143465308) is N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide.
What is the SMILES notation for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The canonical SMILES for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide is C=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C.
What is the InChIKey of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The InChIKey is ADLBDAZESBHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21).
What are the key properties of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide has a molecular weight of 307.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide is sourced from PubChem (CID 143465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).