5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole

C16H25FN2 — CID 155064282

IUPAC5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole
SMILESCCCC1(CC)CCC(c2cc(C3(F)CC3)n[nH]2)C1
InChIInChI=1S/C16H25FN2/c1-3-6-15(4-2)7-5-12(11-15)13-10-14(19-18-13)16(17)8-9-16/h10,12H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyCMZGORMVZRFMRB-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.83
Rot. Bonds5

About 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole

5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole (PubChem CID 155064282) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole
PubChem CID155064282
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole
SMILESCCCC1(CC)CCC(c2cc(C3(F)CC3)n[nH]2)C1
InChIInChI=1S/C16H25FN2/c1-3-6-15(4-2)7-5-12(11-15)13-10-14(19-18-13)16(17)8-9-16/h10,12H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyCMZGORMVZRFMRB-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole?
The IUPAC name of 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole (CID 155064282) is 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole?
The canonical SMILES for 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole is CCCC1(CC)CCC(c2cc(C3(F)CC3)n[nH]2)C1.
What is the InChIKey of 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole?
The InChIKey is CMZGORMVZRFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-6-15(4-2)7-5-12(11-15)13-10-14(19-18-13)16(17)8-9-16/h10,12H,3-9,11H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole?
5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole has a molecular weight of 264.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole is sourced from PubChem (CID 155064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).