4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine

C11H10Cl2FN3 — CID 55063393

IUPAC4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
SMILESCc1nn(Cc2ccc(Cl)c(F)c2)c(N)c1Cl
InChIInChI=1S/C11H10Cl2FN3/c1-6-10(13)11(15)17(16-6)5-7-2-3-8(12)9(14)4-7/h2-4H,5,15H2,1H3
InChIKeyDEMFZVXWLIDZHX-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.27
Rot. Bonds2

About 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine

4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine (PubChem CID 55063393) has the molecular formula C11H10Cl2FN3 and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
PubChem CID55063393
Molecular FormulaC11H10Cl2FN3
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
SMILESCc1nn(Cc2ccc(Cl)c(F)c2)c(N)c1Cl
InChIInChI=1S/C11H10Cl2FN3/c1-6-10(13)11(15)17(16-6)5-7-2-3-8(12)9(14)4-7/h2-4H,5,15H2,1H3
InChIKeyDEMFZVXWLIDZHX-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706
1-[(4-chloro-3-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 107889101
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 107887222
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 107887246
4-chloro-1-[(4-chloro-3-nitrophenyl)methyl]-3,5-dimethylpyrazole
CID 55039076
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
CID 107880816
2-bromo-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 115557341
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 114012415
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 114013003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine (CID 55063393) is 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine is Cc1nn(Cc2ccc(Cl)c(F)c2)c(N)c1Cl.
What is the InChIKey of 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine?
The InChIKey is DEMFZVXWLIDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3/c1-6-10(13)11(15)17(16-6)5-7-2-3-8(12)9(14)4-7/h2-4H,5,15H2,1H3.
What are the key properties of 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine?
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine has a molecular weight of 274.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine is sourced from PubChem (CID 55063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).