4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole

C10H13FN2 — CID 171807370

IUPAC4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole
SMILESC=C(F)c1cn[nH]c1C(=C)C(C)C
InChIInChI=1S/C10H13FN2/c1-6(2)7(3)10-9(8(4)11)5-12-13-10/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyFAZITMVRRVQZFT-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.02
Rot. Bonds3

About 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole

4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole (PubChem CID 171807370) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole
PubChem CID171807370
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole
SMILESC=C(F)c1cn[nH]c1C(=C)C(C)C
InChIInChI=1S/C10H13FN2/c1-6(2)7(3)10-9(8(4)11)5-12-13-10/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyFAZITMVRRVQZFT-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole?
The IUPAC name of 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole (CID 171807370) is 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole is C=C(F)c1cn[nH]c1C(=C)C(C)C.
What is the InChIKey of 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole?
The InChIKey is FAZITMVRRVQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6(2)7(3)10-9(8(4)11)5-12-13-10/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole?
4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole has a molecular weight of 180.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole is sourced from PubChem (CID 171807370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).