N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine

C8H13N3O — CID 139378604

IUPACN-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine
SMILESCC(C)=NOc1nn(C)cc1C
InChIInChI=1S/C8H13N3O/c1-6(2)10-12-8-7(3)5-11(4)9-8/h5H,1-4H3
InChIKeyKOOHCLLEMPHAJU-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.50
Rot. Bonds2

About N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine

N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine (PubChem CID 139378604) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine
PubChem CID139378604
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine
SMILESCC(C)=NOc1nn(C)cc1C
InChIInChI=1S/C8H13N3O/c1-6(2)10-12-8-7(3)5-11(4)9-8/h5H,1-4H3
InChIKeyKOOHCLLEMPHAJU-UHFFFAOYSA-N
XLogP1.50
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dimethylpyrazol-3-yl)oxypyrimidine
CID 157467054
bis(1,4-dimethylpyrazol-3-yl)diazene
CID 162540280
CID 142335085
CID 142335085
(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 54022190
1-(1,4-dimethylpyrazol-3-yl)propan-2-one
CID 82594981
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
CID 130454077
4-isocyanato-3-methoxy-1-methylpyrazole
CID 83914082
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
1-(1,3-dimethylpyrazol-4-yl)-3-methylbut-2-en-1-one
CID 102802822
(4-chloro-1-methylpyrazol-3-yl) formate
CID 174370828
1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
CID 162077924

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine?
The IUPAC name of N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine (CID 139378604) is N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine.
What is the SMILES notation for N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine?
The canonical SMILES for N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine is CC(C)=NOc1nn(C)cc1C.
What is the InChIKey of N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine?
The InChIKey is KOOHCLLEMPHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)10-12-8-7(3)5-11(4)9-8/h5H,1-4H3.
What are the key properties of N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine?
N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine has a molecular weight of 167.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-3-yl)oxypropan-2-imine is sourced from PubChem (CID 139378604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).