3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

C14H22FN3 — CID 163343653

IUPAC3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1CN1CCCC(CF)C1)CCC2
InChIInChI=1S/C14H22FN3/c1-17-14(12-5-2-6-13(12)16-17)10-18-7-3-4-11(8-15)9-18/h11H,2-10H2,1H3
InChIKeyMKYZYOVTLCJCKE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.09
Rot. Bonds3

About 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 163343653) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID163343653
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1CN1CCCC(CF)C1)CCC2
InChIInChI=1S/C14H22FN3/c1-17-14(12-5-2-6-13(12)16-17)10-18-7-3-4-11(8-15)9-18/h11H,2-10H2,1H3
InChIKeyMKYZYOVTLCJCKE-UHFFFAOYSA-N
XLogP2.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19614695
CID 19614695
CID 28808654
CID 28808654
CID 25247413
CID 25247413
CID 155858842
CID 155858842
CID 1129743
CID 1129743
CID 121019887
CID 121019887
CID 57559211
CID 57559211
CID 58183059
CID 58183059
CID 71029829
CID 71029829
CID 90162060
CID 90162060
CID 90162068
CID 90162068
CID 90162074
CID 90162074

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 163343653) is 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cn1nc2c(c1CN1CCCC(CF)C1)CCC2.
What is the InChIKey of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is MKYZYOVTLCJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17-14(12-5-2-6-13(12)16-17)10-18-7-3-4-11(8-15)9-18/h11H,2-10H2,1H3.
What are the key properties of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 251.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 163343653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).