2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine

C10H18FN3 — CID 112567841

IUPAC2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCC(F)(CN)Cc1cnn(C)c1
InChIInChI=1S/C10H18FN3/c1-3-4-10(11,8-12)5-9-6-13-14(2)7-9/h6-7H,3-5,8,12H2,1-2H3
InChIKeyDAKAJMOLEKTBFV-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.43
Rot. Bonds5

About 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine

2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine (PubChem CID 112567841) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
PubChem CID112567841
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCC(F)(CN)Cc1cnn(C)c1
InChIInChI=1S/C10H18FN3/c1-3-4-10(11,8-12)5-9-6-13-14(2)7-9/h6-7H,3-5,8,12H2,1-2H3
InChIKeyDAKAJMOLEKTBFV-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine 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

2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
CID 62127136
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 106489762
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
1-methyl-4-propylpyrazole;propane
CID 155742221

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine (CID 112567841) is 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine is CCCC(F)(CN)Cc1cnn(C)c1.
What is the InChIKey of 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The InChIKey is DAKAJMOLEKTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-4-10(11,8-12)5-9-6-13-14(2)7-9/h6-7H,3-5,8,12H2,1-2H3.
What are the key properties of 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 112567841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).