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

C11H17N3 — CID 166753459

IUPACN-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine
SMILESC=NC1C(/C=C\C)=NN=C1C(C)(C)C
InChIInChI=1S/C11H17N3/c1-6-7-8-9(12-5)10(14-13-8)11(2,3)4/h6-7,9H,5H2,1-4H3/b7-6-
InChIKeyYWMDSCCOANAMMQ-SREVYHEPSA-N
MW191.28 g/mol
LogP2.49
Rot. Bonds2

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

N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine (PubChem CID 166753459) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine.

Molecular Properties

Compound NameN-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine
PubChem CID166753459
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine
SMILESC=NC1C(/C=C\C)=NN=C1C(C)(C)C
InChIInChI=1S/C11H17N3/c1-6-7-8-9(12-5)10(14-13-8)11(2,3)4/h6-7,9H,5H2,1-4H3/b7-6-
InChIKeyYWMDSCCOANAMMQ-SREVYHEPSA-N
XLogP2.49
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine?
The IUPAC name of N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine (CID 166753459) is N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine.
What is the SMILES notation for N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine?
The canonical SMILES for N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine is C=NC1C(/C=C\C)=NN=C1C(C)(C)C.
What is the InChIKey of N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine?
The InChIKey is YWMDSCCOANAMMQ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-7-8-9(12-5)10(14-13-8)11(2,3)4/h6-7,9H,5H2,1-4H3/b7-6-.
What are the key properties of N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine?
N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine has a molecular weight of 191.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-[(Z)-prop-1-enyl]-4H-pyrazol-4-yl]methanimine is sourced from PubChem (CID 166753459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).