N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine

C7H11N3 — CID 18730438

IUPACN-(5-methyl-1H-pyrazol-3-yl)propan-2-imine
SMILESCC(C)=Nc1cc(C)[nH]n1
InChIInChI=1S/C7H11N3/c1-5(2)8-7-4-6(3)9-10-7/h4H,1-3H3,(H,9,10)
InChIKeyCMKQZZFVGBOAGL-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.83
Rot. Bonds1

About N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine

N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine (PubChem CID 18730438) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)propan-2-imine
PubChem CID18730438
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)propan-2-imine
SMILESCC(C)=Nc1cc(C)[nH]n1
InChIInChI=1S/C7H11N3/c1-5(2)8-7-4-6(3)9-10-7/h4H,1-3H3,(H,9,10)
InChIKeyCMKQZZFVGBOAGL-UHFFFAOYSA-N
XLogP1.83
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-1H-pyrazol-3-yl)propan-2-imine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine (CID 18730438) is N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine is CC(C)=Nc1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine?
The InChIKey is CMKQZZFVGBOAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)8-7-4-6(3)9-10-7/h4H,1-3H3,(H,9,10).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine?
N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine has a molecular weight of 137.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine is sourced from PubChem (CID 18730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).