N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide

C9H13N5 — CID 13214577

IUPACN'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCCn1cc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C9H13N5/c1-4-14-6-8(5-10)9(12-14)11-7-13(2)3/h6-7H,4H2,1-3H3/b11-7+
InChIKeyRPXHBALLBAWEPN-YRNVUSSQSA-N
MW191.24 g/mol
LogP1.00
Rot. Bonds3

About N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide

N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 13214577) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
PubChem CID13214577
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCCn1cc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C9H13N5/c1-4-14-6-8(5-10)9(12-14)11-7-13(2)3/h6-7H,4H2,1-3H3/b11-7+
InChIKeyRPXHBALLBAWEPN-YRNVUSSQSA-N
XLogP1.00
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.00
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-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide (CID 13214577) is N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide is CCn1cc(C#N)c(/N=C/N(C)C)n1.
What is the InChIKey of N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is RPXHBALLBAWEPN-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H13N5/c1-4-14-6-8(5-10)9(12-14)11-7-13(2)3/h6-7H,4H2,1-3H3/b11-7+.
What are the key properties of N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide?
N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 191.24 g/mol, XLogP of 1.00, 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-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13214577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).