N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

C8H11N3 — CID 134224296

IUPACN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C)c1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyKZTPMYXPUIWQPT-PLNGDYQASA-N
MW149.20 g/mol
LogP2.08
Rot. Bonds2

About N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (PubChem CID 134224296) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
PubChem CID134224296
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C)c1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyKZTPMYXPUIWQPT-PLNGDYQASA-N
XLogP2.08
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.08
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-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The IUPAC name of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (CID 134224296) is N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.
What is the SMILES notation for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The canonical SMILES for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is C=Nc1n[nH]c(C)c1/C=C\C.
What is the InChIKey of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The InChIKey is KZTPMYXPUIWQPT-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-.
What are the key properties of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine has a molecular weight of 149.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is sourced from PubChem (CID 134224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).