ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

C10H17N3 — CID 143725771

IUPACethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=Cc1[nH]nc(N)c1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-5-6-7(4-2)10-11-8(6)9;1-2/h3-5H,2H2,1H3,(H3,9,10,11);1-2H3/b5-3-;
InChIKeyOLEJLEQMBGQYHZ-FBZPGIPVSA-N
MW179.27 g/mol
LogP2.69
Rot. Bonds2

About ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 143725771) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID143725771
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=Cc1[nH]nc(N)c1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-5-6-7(4-2)10-11-8(6)9;1-2/h3-5H,2H2,1H3,(H3,9,10,11);1-2H3/b5-3-;
InChIKeyOLEJLEQMBGQYHZ-FBZPGIPVSA-N
XLogP2.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (CID 143725771) is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is C=Cc1[nH]nc(N)c1/C=C\C.CC.
What is the InChIKey of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is OLEJLEQMBGQYHZ-FBZPGIPVSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-3-5-6-7(4-2)10-11-8(6)9;1-2/h3-5H,2H2,1H3,(H3,9,10,11);1-2H3/b5-3-;.
What are the key properties of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 143725771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).