N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide

C7H10N4O — CID 170592357

IUPACN'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N\c1[nH]ncc1C=O
InChIInChI=1S/C7H10N4O/c1-11(2)5-8-7-6(4-12)3-9-10-7/h3-5H,1-2H3,(H,9,10)/b8-5-
InChIKeyQLLPELFQBZRYAS-YVMONPNESA-N
MW166.18 g/mol
LogP0.44
Rot. Bonds3

About N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide

N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide (PubChem CID 170592357) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
PubChem CID170592357
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N\c1[nH]ncc1C=O
InChIInChI=1S/C7H10N4O/c1-11(2)5-8-7-6(4-12)3-9-10-7/h3-5H,1-2H3,(H,9,10)/b8-5-
InChIKeyQLLPELFQBZRYAS-YVMONPNESA-N
XLogP0.44
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide (CID 170592357) is N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N\c1[nH]ncc1C=O.
What is the InChIKey of N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide?
The InChIKey is QLLPELFQBZRYAS-YVMONPNESA-N. The full InChI is InChI=1S/C7H10N4O/c1-11(2)5-8-7-6(4-12)3-9-10-7/h3-5H,1-2H3,(H,9,10)/b8-5-.
What are the key properties of N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide?
N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide has a molecular weight of 166.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 170592357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).