N-methyl-1-pyrazol-1-ylpropan-1-imine

C7H11N3 — CID 157387704

IUPACN-methyl-1-pyrazol-1-ylpropan-1-imine
SMILESCC/C(=N\C)n1cccn1
InChIInChI=1S/C7H11N3/c1-3-7(8-2)10-6-4-5-9-10/h4-6H,3H2,1-2H3/b8-7+
InChIKeyZOERYHRZAHRFBL-BQYQJAHWSA-N
MW137.19 g/mol
LogP1.17
Rot. Bonds1

About N-methyl-1-pyrazol-1-ylpropan-1-imine

N-methyl-1-pyrazol-1-ylpropan-1-imine (PubChem CID 157387704) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-methyl-1-pyrazol-1-ylpropan-1-imine.

Molecular Properties

Compound NameN-methyl-1-pyrazol-1-ylpropan-1-imine
PubChem CID157387704
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-methyl-1-pyrazol-1-ylpropan-1-imine
SMILESCC/C(=N\C)n1cccn1
InChIInChI=1S/C7H11N3/c1-3-7(8-2)10-6-4-5-9-10/h4-6H,3H2,1-2H3/b8-7+
InChIKeyZOERYHRZAHRFBL-BQYQJAHWSA-N
XLogP1.17
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropylidene)pyrazole-1-carboximidamide
CID 102368487
N-methylpyrazole-1-carboxamide;propane
CID 90891150
N'-chloropyrazole-1-carboximidamide
CID 74767935
N'-pentylpyrazole-1-carboximidamide;hydrochloride
CID 45261131
(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
CID 20518202
N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
CID 45261144
pyrazole-1-carbothioamide
CID 1480595
N-pentylpyrazole-1-carboxamide
CID 134846837
(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine
CID 20528249
1-ethylpyrazole;propane
CID 142296683
methyl (Z)-3-pyrazol-1-yloct-2-enoate
CID 177479814
3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazol-1-ylpropan-1-imine?
The IUPAC name of N-methyl-1-pyrazol-1-ylpropan-1-imine (CID 157387704) is N-methyl-1-pyrazol-1-ylpropan-1-imine.
What is the SMILES notation for N-methyl-1-pyrazol-1-ylpropan-1-imine?
The canonical SMILES for N-methyl-1-pyrazol-1-ylpropan-1-imine is CC/C(=N\C)n1cccn1.
What is the InChIKey of N-methyl-1-pyrazol-1-ylpropan-1-imine?
The InChIKey is ZOERYHRZAHRFBL-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-7(8-2)10-6-4-5-9-10/h4-6H,3H2,1-2H3/b8-7+.
What are the key properties of N-methyl-1-pyrazol-1-ylpropan-1-imine?
N-methyl-1-pyrazol-1-ylpropan-1-imine has a molecular weight of 137.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazol-1-ylpropan-1-imine is sourced from PubChem (CID 157387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).