N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine

C9H12N4O — CID 147756372

IUPACN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine
SMILESCOCc1cc(/N=C2\C=C(C)N2)n[nH]1
InChIInChI=1S/C9H12N4O/c1-6-3-8(10-6)11-9-4-7(5-14-2)12-13-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyHDETUEUNBBMOCD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.09
Rot. Bonds3

About N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine

N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine (PubChem CID 147756372) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine
PubChem CID147756372
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine
SMILESCOCc1cc(/N=C2\C=C(C)N2)n[nH]1
InChIInChI=1S/C9H12N4O/c1-6-3-8(10-6)11-9-4-7(5-14-2)12-13-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyHDETUEUNBBMOCD-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine?
The IUPAC name of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine (CID 147756372) is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine.
What is the SMILES notation for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine?
The canonical SMILES for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine is COCc1cc(/N=C2\C=C(C)N2)n[nH]1.
What is the InChIKey of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine?
The InChIKey is HDETUEUNBBMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-3-8(10-6)11-9-4-7(5-14-2)12-13-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine?
N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine has a molecular weight of 192.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-4-methyl-1H-azet-2-imine is sourced from PubChem (CID 147756372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).