N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine

C13H21F2N3 — CID 114225272

IUPACN-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CC2CCC(F)(F)C2)c1C
InChIInChI=1S/C13H21F2N3/c1-3-16-7-12-8-17-18(10(12)2)9-11-4-5-13(14,15)6-11/h8,11,16H,3-7,9H2,1-2H3
InChIKeySGQOOGIGZDUMPQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine

N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine (PubChem CID 114225272) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
PubChem CID114225272
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CC2CCC(F)(F)C2)c1C
InChIInChI=1S/C13H21F2N3/c1-3-16-7-12-8-17-18(10(12)2)9-11-4-5-13(14,15)6-11/h8,11,16H,3-7,9H2,1-2H3
InChIKeySGQOOGIGZDUMPQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine (CID 114225272) is N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(CC2CCC(F)(F)C2)c1C.
What is the InChIKey of N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is SGQOOGIGZDUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-3-16-7-12-8-17-18(10(12)2)9-11-4-5-13(14,15)6-11/h8,11,16H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine?
N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114225272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).