[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine

C11H11ClFN3 — CID 103041553

IUPAC[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine
SMILESNCc1ccnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3/c12-10-5-8(1-2-11(10)13)7-16-9(6-14)3-4-15-16/h1-5H,6-7,14H2
InChIKeyDYDYCLICWHOPIV-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.18
Rot. Bonds3

About [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine

[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine (PubChem CID 103041553) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine
PubChem CID103041553
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine
SMILESNCc1ccnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3/c12-10-5-8(1-2-11(10)13)7-16-9(6-14)3-4-15-16/h1-5H,6-7,14H2
InChIKeyDYDYCLICWHOPIV-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine 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

1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
CID 62122331
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878770
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 114453200
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The IUPAC name of [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine (CID 103041553) is [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine is NCc1ccnn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The InChIKey is DYDYCLICWHOPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c12-10-5-8(1-2-11(10)13)7-16-9(6-14)3-4-15-16/h1-5H,6-7,14H2.
What are the key properties of [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine has a molecular weight of 239.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 103041553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).