1-(3-fluorocyclopentyl)-4-methylpyrazole

C9H13FN2 — CID 84731747

IUPAC1-(3-fluorocyclopentyl)-4-methylpyrazole
SMILESCc1cnn(C2CCC(F)C2)c1
InChIInChI=1S/C9H13FN2/c1-7-5-11-12(6-7)9-3-2-8(10)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeySQRYVYHDNSDACD-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.25
Rot. Bonds1

About 1-(3-fluorocyclopentyl)-4-methylpyrazole

1-(3-fluorocyclopentyl)-4-methylpyrazole (PubChem CID 84731747) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(3-fluorocyclopentyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluorocyclopentyl)-4-methylpyrazole
PubChem CID84731747
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name1-(3-fluorocyclopentyl)-4-methylpyrazole
SMILESCc1cnn(C2CCC(F)C2)c1
InChIInChI=1S/C9H13FN2/c1-7-5-11-12(6-7)9-3-2-8(10)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeySQRYVYHDNSDACD-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclopentyl)-4-methylpyrazole?
The IUPAC name of 1-(3-fluorocyclopentyl)-4-methylpyrazole (CID 84731747) is 1-(3-fluorocyclopentyl)-4-methylpyrazole.
What is the SMILES notation for 1-(3-fluorocyclopentyl)-4-methylpyrazole?
The canonical SMILES for 1-(3-fluorocyclopentyl)-4-methylpyrazole is Cc1cnn(C2CCC(F)C2)c1.
What is the InChIKey of 1-(3-fluorocyclopentyl)-4-methylpyrazole?
The InChIKey is SQRYVYHDNSDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7-5-11-12(6-7)9-3-2-8(10)4-9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 1-(3-fluorocyclopentyl)-4-methylpyrazole?
1-(3-fluorocyclopentyl)-4-methylpyrazole has a molecular weight of 168.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclopentyl)-4-methylpyrazole is sourced from PubChem (CID 84731747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).