N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide

C8H11N5 — CID 2766343

IUPACN'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1c(C#N)cnn1C
InChIInChI=1S/C8H11N5/c1-12(2)6-10-8-7(4-9)5-11-13(8)3/h5-6H,1-3H3
InChIKeyPVNLEIYBIWHQEQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.51
Rot. Bonds2

About N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide

N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide (PubChem CID 2766343) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide
PubChem CID2766343
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1c(C#N)cnn1C
InChIInChI=1S/C8H11N5/c1-12(2)6-10-8-7(4-9)5-11-13(8)3/h5-6H,1-3H3
InChIKeyPVNLEIYBIWHQEQ-UHFFFAOYSA-N
XLogP0.51
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide (CID 2766343) is N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1c(C#N)cnn1C.
What is the InChIKey of N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The InChIKey is PVNLEIYBIWHQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-12(2)6-10-8-7(4-9)5-11-13(8)3/h5-6H,1-3H3.
What are the key properties of N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide has a molecular weight of 177.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyano-1-methylpyrazol-5-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2766343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).