1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole

C11H20N2 — CID 175405005

IUPAC1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole
SMILESCCC=CN1C(C)=C(C)C(C)N1C
InChIInChI=1S/C11H20N2/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h7-8,10H,6H2,1-5H3
InChIKeyDLIBRCXJYZKFDB-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.75
Rot. Bonds2

About 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole

1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole (PubChem CID 175405005) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole.

Molecular Properties

Compound Name1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole
PubChem CID175405005
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole
SMILESCCC=CN1C(C)=C(C)C(C)N1C
InChIInChI=1S/C11H20N2/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h7-8,10H,6H2,1-5H3
InChIKeyDLIBRCXJYZKFDB-UHFFFAOYSA-N
XLogP2.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole?
The IUPAC name of 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole (CID 175405005) is 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole.
What is the SMILES notation for 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole?
The canonical SMILES for 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole is CCC=CN1C(C)=C(C)C(C)N1C.
What is the InChIKey of 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole?
The InChIKey is DLIBRCXJYZKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole?
1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-2,3,4,5-tetramethyl-3H-pyrazole is sourced from PubChem (CID 175405005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).