1-[(1-fluorocyclopentyl)methyl]pyrazole

C9H13FN2 — CID 126847994

IUPAC1-[(1-fluorocyclopentyl)methyl]pyrazole
SMILESFC1(Cn2cccn2)CCCC1
InChIInChI=1S/C9H13FN2/c10-9(4-1-2-5-9)8-12-7-3-6-11-12/h3,6-7H,1-2,4-5,8H2
InChIKeySKEGKHBPBFOSQN-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.17
Rot. Bonds2

About 1-[(1-fluorocyclopentyl)methyl]pyrazole

1-[(1-fluorocyclopentyl)methyl]pyrazole (PubChem CID 126847994) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-[(1-fluorocyclopentyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(1-fluorocyclopentyl)methyl]pyrazole
PubChem CID126847994
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name1-[(1-fluorocyclopentyl)methyl]pyrazole
SMILESFC1(Cn2cccn2)CCCC1
InChIInChI=1S/C9H13FN2/c10-9(4-1-2-5-9)8-12-7-3-6-11-12/h3,6-7H,1-2,4-5,8H2
InChIKeySKEGKHBPBFOSQN-UHFFFAOYSA-N
XLogP2.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopentyl)methyl]pyrazole?
The IUPAC name of 1-[(1-fluorocyclopentyl)methyl]pyrazole (CID 126847994) is 1-[(1-fluorocyclopentyl)methyl]pyrazole.
What is the SMILES notation for 1-[(1-fluorocyclopentyl)methyl]pyrazole?
The canonical SMILES for 1-[(1-fluorocyclopentyl)methyl]pyrazole is FC1(Cn2cccn2)CCCC1.
What is the InChIKey of 1-[(1-fluorocyclopentyl)methyl]pyrazole?
The InChIKey is SKEGKHBPBFOSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-9(4-1-2-5-9)8-12-7-3-6-11-12/h3,6-7H,1-2,4-5,8H2.
What are the key properties of 1-[(1-fluorocyclopentyl)methyl]pyrazole?
1-[(1-fluorocyclopentyl)methyl]pyrazole has a molecular weight of 168.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopentyl)methyl]pyrazole is sourced from PubChem (CID 126847994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).