N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

C10H15N3 — CID 134286529

IUPACN-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C(C)C)c1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-6-8-9(7(2)3)12-13-10(8)11-4/h5-7H,4H2,1-3H3,(H,12,13)/b6-5-
InChIKeyDLDHELPGWLWXJB-WAYWQWQTSA-N
MW177.25 g/mol
LogP2.90
Rot. Bonds3

About N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (PubChem CID 134286529) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
PubChem CID134286529
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C(C)C)c1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-6-8-9(7(2)3)12-13-10(8)11-4/h5-7H,4H2,1-3H3,(H,12,13)/b6-5-
InChIKeyDLDHELPGWLWXJB-WAYWQWQTSA-N
XLogP2.90
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.90
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-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The IUPAC name of N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (CID 134286529) is N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.
What is the SMILES notation for N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The canonical SMILES for N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is C=Nc1n[nH]c(C(C)C)c1/C=C\C.
What is the InChIKey of N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The InChIKey is DLDHELPGWLWXJB-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-8-9(7(2)3)12-13-10(8)11-4/h5-7H,4H2,1-3H3,(H,12,13)/b6-5-.
What are the key properties of N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine has a molecular weight of 177.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is sourced from PubChem (CID 134286529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).