N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide

C8H14N4 — CID 85290638

IUPACN'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCCn1nccc1N=CN(C)C
InChIInChI=1S/C8H14N4/c1-4-12-8(5-6-10-12)9-7-11(2)3/h5-7H,4H2,1-3H3
InChIKeyILBHEGKWJUHKMG-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.12
Rot. Bonds3

About N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide

N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 85290638) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
PubChem CID85290638
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCCn1nccc1N=CN(C)C
InChIInChI=1S/C8H14N4/c1-4-12-8(5-6-10-12)9-7-11(2)3/h5-7H,4H2,1-3H3
InChIKeyILBHEGKWJUHKMG-UHFFFAOYSA-N
XLogP1.12
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
CID 1084924
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
CID 47002600
1-Butyl-1H-pyrazol-5-amine
CID 642216
3-azido-1-methyl-1H-pyrazole
CID 21680106
1-Propyl-1H-pyrazol-5-amine
CID 1084923

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide (CID 85290638) is N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide is CCn1nccc1N=CN(C)C.
What is the InChIKey of N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is ILBHEGKWJUHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-12-8(5-6-10-12)9-7-11(2)3/h5-7H,4H2,1-3H3.
What are the key properties of N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 85290638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).