N'-(1-benzylpyrazol-4-yl)ethanimidamide

C12H14N4 — CID 131165771

IUPACN'-(1-benzylpyrazol-4-yl)ethanimidamide
SMILESC/C(N)=N\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H14N4/c1-10(13)15-12-7-14-16(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,13,15)
InChIKeyYXKWGKZXGUVCFO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.94
Rot. Bonds3

About N'-(1-benzylpyrazol-4-yl)ethanimidamide

N'-(1-benzylpyrazol-4-yl)ethanimidamide (PubChem CID 131165771) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-(1-benzylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-benzylpyrazol-4-yl)ethanimidamide
PubChem CID131165771
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-(1-benzylpyrazol-4-yl)ethanimidamide
SMILESC/C(N)=N\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H14N4/c1-10(13)15-12-7-14-16(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,13,15)
InChIKeyYXKWGKZXGUVCFO-UHFFFAOYSA-N
XLogP1.94
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-azido-1-benzylpyrazole
CID 57301951
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111065817
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-benzylpyrazole-4-carbohydrazide
CID 83386286
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate
CID 83440945
2-[(1-benzylpyrazol-4-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111065841
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate;dihydrochloride
CID 132585364
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
CID 166794222
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
CID 131238869

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpyrazol-4-yl)ethanimidamide?
The IUPAC name of N'-(1-benzylpyrazol-4-yl)ethanimidamide (CID 131165771) is N'-(1-benzylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-(1-benzylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for N'-(1-benzylpyrazol-4-yl)ethanimidamide is C/C(N)=N\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N'-(1-benzylpyrazol-4-yl)ethanimidamide?
The InChIKey is YXKWGKZXGUVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-10(13)15-12-7-14-16(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,13,15).
What are the key properties of N'-(1-benzylpyrazol-4-yl)ethanimidamide?
N'-(1-benzylpyrazol-4-yl)ethanimidamide has a molecular weight of 214.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 131165771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).