4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride

C10H10Cl2FN3O — CID 132586358

IUPAC4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(COc2ccccc2F)cc1Cl
InChIInChI=1S/C10H9ClFN3O.ClH/c11-7-5-15(14-10(7)13)6-16-9-4-2-1-3-8(9)12;/h1-5H,6H2,(H2,13,14);1H
InChIKeyBREACKRMWKTNBA-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.72
Rot. Bonds3

About 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride

4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 132586358) has the molecular formula C10H10Cl2FN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
PubChem CID132586358
Molecular FormulaC10H10Cl2FN3O
Molecular Weight278.11 g/mol
Exact Mass277.02
IUPAC Name4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(COc2ccccc2F)cc1Cl
InChIInChI=1S/C10H9ClFN3O.ClH/c11-7-5-15(14-10(7)13)6-16-9-4-2-1-3-8(9)12;/h1-5H,6H2,(H2,13,14);1H
InChIKeyBREACKRMWKTNBA-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride 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

4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618319
4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618317
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
CID 19618340
1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327
1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazol-3-amine
CID 19618329
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618418
2-[2-[(3-amino-4-chloropyrazol-1-yl)methyl]phenyl]acetic acid
CID 113314556
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
1-(3-amino-1,2,4-triazol-1-yl)-4-(2-fluorophenoxy)butan-1-one
CID 110486515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride (CID 132586358) is 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride is Cl.Nc1nn(COc2ccccc2F)cc1Cl.
What is the InChIKey of 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is BREACKRMWKTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O.ClH/c11-7-5-15(14-10(7)13)6-16-9-4-2-1-3-8(9)12;/h1-5H,6H2,(H2,13,14);1H.
What are the key properties of 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride?
4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 278.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 132586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).