(1-methylpyrazol-3-yl)methanimine

C5H7N3 — CID 123442879

IUPAC(1-methylpyrazol-3-yl)methanimine
SMILES[H]/N=C/c1ccn(C)n1
InChIInChI=1S/C5H7N3/c1-8-3-2-5(4-6)7-8/h2-4,6H,1H3/b6-4+
InChIKeyVUAXMKICZORRHT-GQCTYLIASA-N
MW109.13 g/mol
LogP0.42
Rot. Bonds1

About (1-methylpyrazol-3-yl)methanimine

(1-methylpyrazol-3-yl)methanimine (PubChem CID 123442879) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methanimine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methanimine
PubChem CID123442879
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name(1-methylpyrazol-3-yl)methanimine
SMILES[H]/N=C/c1ccn(C)n1
InChIInChI=1S/C5H7N3/c1-8-3-2-5(4-6)7-8/h2-4,6H,1H3/b6-4+
InChIKeyVUAXMKICZORRHT-GQCTYLIASA-N
XLogP0.42
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrazol-3-yl)prop-2-en-1-ol
CID 169452822
chromium;1,3-dimethylpyrazole
CID 174318008
(2Z,5E)-2,5-bis[(1-methylpyrazol-3-yl)methylidene]cyclopentan-1-one
CID 6211085
2,5-bis[(1-methylpyrazol-3-yl)methylidene]cyclopentan-1-one
CID 4774502
(1,2-dimethylimidazol-4-yl)methanimine
CID 162602623
(E)-1-cyclopropyl-3-(1-methylpyrazol-3-yl)prop-2-en-1-one
CID 19558915
2-[(1-methylpyrazol-3-yl)methylidene]piperidine
CID 141119282
ethane;(6-methyl-2-pyridinyl)methanimine
CID 91555780
3-but-3-en-2-yl-1-methylpyrazole
CID 138553537
1-methylpyrazol-3-amine;dihydrochloride
CID 67521051
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-3-yl)prop-2-enoate
CID 66938162
nickel;pyridin-2-ylmethanimine
CID 87871752

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methanimine?
The IUPAC name of (1-methylpyrazol-3-yl)methanimine (CID 123442879) is (1-methylpyrazol-3-yl)methanimine.
What is the SMILES notation for (1-methylpyrazol-3-yl)methanimine?
The canonical SMILES for (1-methylpyrazol-3-yl)methanimine is [H]/N=C/c1ccn(C)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methanimine?
The InChIKey is VUAXMKICZORRHT-GQCTYLIASA-N. The full InChI is InChI=1S/C5H7N3/c1-8-3-2-5(4-6)7-8/h2-4,6H,1H3/b6-4+.
What are the key properties of (1-methylpyrazol-3-yl)methanimine?
(1-methylpyrazol-3-yl)methanimine has a molecular weight of 109.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methanimine is sourced from PubChem (CID 123442879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).