ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine

C14H27N3 — CID 165132272

IUPACethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine
SMILESCC.CC.[H]/N=C(/c1[nH]ncc1/C=C\C)C(C)C
InChIInChI=1S/C10H15N3.2C2H6/c1-4-5-8-6-12-13-10(8)9(11)7(2)3;2*1-2/h4-7,11H,1-3H3,(H,12,13);2*1-2H3/b5-4-,11-9+;;
InChIKeyPBMRAFDSIVUSSR-QBADXZKUSA-N
MW237.39 g/mol
LogP4.52
Rot. Bonds3

About ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine

ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine (PubChem CID 165132272) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine
PubChem CID165132272
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine
SMILESCC.CC.[H]/N=C(/c1[nH]ncc1/C=C\C)C(C)C
InChIInChI=1S/C10H15N3.2C2H6/c1-4-5-8-6-12-13-10(8)9(11)7(2)3;2*1-2/h4-7,11H,1-3H3,(H,12,13);2*1-2H3/b5-4-,11-9+;;
InChIKeyPBMRAFDSIVUSSR-QBADXZKUSA-N
XLogP4.52
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
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 ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine?
The IUPAC name of ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine (CID 165132272) is ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine.
What is the SMILES notation for ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine?
The canonical SMILES for ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine is CC.CC.[H]/N=C(/c1[nH]ncc1/C=C\C)C(C)C.
What is the InChIKey of ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine?
The InChIKey is PBMRAFDSIVUSSR-QBADXZKUSA-N. The full InChI is InChI=1S/C10H15N3.2C2H6/c1-4-5-8-6-12-13-10(8)9(11)7(2)3;2*1-2/h4-7,11H,1-3H3,(H,12,13);2*1-2H3/b5-4-,11-9+;;.
What are the key properties of ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine?
ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine has a molecular weight of 237.39 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine is sourced from PubChem (CID 165132272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).