N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine

C9H14N4 — CID 90437472

IUPACN-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine
SMILESC=CNc1c(/C=N/C)cnn1CC
InChIInChI=1S/C9H14N4/c1-4-11-9-8(6-10-3)7-12-13(9)5-2/h4,6-7,11H,1,5H2,2-3H3/b10-6+
InChIKeyYGKRDKQDANKSPA-UXBLZVDNSA-N
MW178.24 g/mol
LogP1.51
Rot. Bonds4

About N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine

N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine (PubChem CID 90437472) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine
PubChem CID90437472
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine
SMILESC=CNc1c(/C=N/C)cnn1CC
InChIInChI=1S/C9H14N4/c1-4-11-9-8(6-10-3)7-12-13(9)5-2/h4,6-7,11H,1,5H2,2-3H3/b10-6+
InChIKeyYGKRDKQDANKSPA-UXBLZVDNSA-N
XLogP1.51
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine?
The IUPAC name of N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine (CID 90437472) is N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine?
The canonical SMILES for N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine is C=CNc1c(/C=N/C)cnn1CC.
What is the InChIKey of N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine?
The InChIKey is YGKRDKQDANKSPA-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-11-9-8(6-10-3)7-12-13(9)5-2/h4,6-7,11H,1,5H2,2-3H3/b10-6+.
What are the key properties of N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine?
N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine has a molecular weight of 178.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine is sourced from PubChem (CID 90437472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).