N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine

C10H9ClFN3 — CID 43539940

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
SMILESFc1cccc(Cl)c1CNc1cn[nH]c1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-3-10(12)8(9)6-13-7-4-14-15-5-7/h1-5,13H,6H2,(H,14,15)
InChIKeyRXXMTQKUPQHMMA-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.81
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 43539940) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
PubChem CID43539940
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
SMILESFc1cccc(Cl)c1CNc1cn[nH]c1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-3-10(12)8(9)6-13-7-4-14-15-5-7/h1-5,13H,6H2,(H,14,15)
InChIKeyRXXMTQKUPQHMMA-UHFFFAOYSA-N
XLogP2.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-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

N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
4-N-[(3,6-dichloro-2-fluorophenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 141388777
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
1-chloro-3-fluoro-2-[[3-(sulfamoylamino)anilino]methyl]benzene
CID 43742045

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine (CID 43539940) is N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine is Fc1cccc(Cl)c1CNc1cn[nH]c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is RXXMTQKUPQHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-2-1-3-10(12)8(9)6-13-7-4-14-15-5-7/h1-5,13H,6H2,(H,14,15).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 225.65 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).