1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole

C9H15FN2 — CID 58030264

IUPAC1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C(C)F)n1
InChIInChI=1S/C9H15FN2/c1-6(2)9-5-7(3)11-12(9)8(4)10/h5-6,8H,1-4H3
InChIKeyGBGSUNFMNCIXSS-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.80
Rot. Bonds2

About 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole

1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole (PubChem CID 58030264) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
PubChem CID58030264
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C(C)F)n1
InChIInChI=1S/C9H15FN2/c1-6(2)9-5-7(3)11-12(9)8(4)10/h5-6,8H,1-4H3
InChIKeyGBGSUNFMNCIXSS-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole?
The IUPAC name of 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole (CID 58030264) is 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole is Cc1cc(C(C)C)n(C(C)F)n1.
What is the InChIKey of 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole?
The InChIKey is GBGSUNFMNCIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6(2)9-5-7(3)11-12(9)8(4)10/h5-6,8H,1-4H3.
What are the key properties of 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole?
1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole has a molecular weight of 170.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 58030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).