(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine

C9H11N3 — CID 137256067

IUPAC(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine
SMILESC/C=C\N=C\C=C\c1cn[nH]c1
InChIInChI=1S/C9H11N3/c1-2-5-10-6-3-4-9-7-11-12-8-9/h2-8H,1H3,(H,11,12)/b4-3+,5-2-,10-6+
InChIKeyJHWDPRVMSRPJSZ-WZIBPAMLSA-N
MW161.21 g/mol
LogP2.03
Rot. Bonds3

About (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine

(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine (PubChem CID 137256067) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine
PubChem CID137256067
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine
SMILESC/C=C\N=C\C=C\c1cn[nH]c1
InChIInChI=1S/C9H11N3/c1-2-5-10-6-3-4-9-7-11-12-8-9/h2-8H,1H3,(H,11,12)/b4-3+,5-2-,10-6+
InChIKeyJHWDPRVMSRPJSZ-WZIBPAMLSA-N
XLogP2.03
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.03
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 (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine (CID 137256067) is (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine is C/C=C\N=C\C=C\c1cn[nH]c1.
What is the InChIKey of (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine?
The InChIKey is JHWDPRVMSRPJSZ-WZIBPAMLSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-5-10-6-3-4-9-7-11-12-8-9/h2-8H,1H3,(H,11,12)/b4-3+,5-2-,10-6+.
What are the key properties of (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine?
(E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine has a molecular weight of 161.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-prop-1-enyl]-3-(1H-pyrazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 137256067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).