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

C13H13N5 — CID 2800318

IUPACN'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C13H13N5/c1-17(2)10-15-13-11(8-14)9-16-18(13)12-6-4-3-5-7-12/h3-7,9-10H,1-2H3
InChIKeyGZSMAOJCHPIUAN-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds3

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

N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide (PubChem CID 2800318) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide
PubChem CID2800318
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C13H13N5/c1-17(2)10-15-13-11(8-14)9-16-18(13)12-6-4-3-5-7-12/h3-7,9-10H,1-2H3
InChIKeyGZSMAOJCHPIUAN-UHFFFAOYSA-N
XLogP1.97
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.97
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-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide (CID 2800318) is N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1c(C#N)cnn1-c1ccccc1.
What is the InChIKey of N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
The InChIKey is GZSMAOJCHPIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-17(2)10-15-13-11(8-14)9-16-18(13)12-6-4-3-5-7-12/h3-7,9-10H,1-2H3.
What are the key properties of N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide?
N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide has a molecular weight of 239.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyano-1-phenylpyrazol-5-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2800318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).