ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole

C10H18N2 — CID 143205960

IUPACethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole
SMILESC=CC1=C(/C=C\C)NNC1.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,2,6H2,1H3;1-2H3/b5-3-;
InChIKeyKPBMOWGZFCVUCV-FBZPGIPVSA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds2

About ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole

ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole (PubChem CID 143205960) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Nameethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole
PubChem CID143205960
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole
SMILESC=CC1=C(/C=C\C)NNC1.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,2,6H2,1H3;1-2H3/b5-3-;
InChIKeyKPBMOWGZFCVUCV-FBZPGIPVSA-N
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole?
The IUPAC name of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole (CID 143205960) is ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole?
The canonical SMILES for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole is C=CC1=C(/C=C\C)NNC1.CC.
What is the InChIKey of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole?
The InChIKey is KPBMOWGZFCVUCV-FBZPGIPVSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,2,6H2,1H3;1-2H3/b5-3-;.
What are the key properties of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole?
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 143205960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).