5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole

C10H14N2 — CID 126761718

IUPAC5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole
SMILESC/C=C\n1nccc1/C=C\CC
InChIInChI=1S/C10H14N2/c1-3-5-6-10-7-8-11-12(10)9-4-2/h4-9H,3H2,1-2H3/b6-5-,9-4-
InChIKeyNJTJDRAEWCXUJM-HCJFEJOASA-N
MW162.24 g/mol
LogP2.80
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole

5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole (PubChem CID 126761718) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole
PubChem CID126761718
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole
SMILESC/C=C\n1nccc1/C=C\CC
InChIInChI=1S/C10H14N2/c1-3-5-6-10-7-8-11-12(10)9-4-2/h4-9H,3H2,1-2H3/b6-5-,9-4-
InChIKeyNJTJDRAEWCXUJM-HCJFEJOASA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole (CID 126761718) is 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole is C/C=C\n1nccc1/C=C\CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole?
The InChIKey is NJTJDRAEWCXUJM-HCJFEJOASA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-6-10-7-8-11-12(10)9-4-2/h4-9H,3H2,1-2H3/b6-5-,9-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole?
5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole has a molecular weight of 162.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole is sourced from PubChem (CID 126761718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).