4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine

C10H8Cl2FN3 — CID 7022259

IUPAC4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C10H8Cl2FN3/c11-7-2-1-3-9(13)6(7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15)
InChIKeyYCRNVRLUIPCVBA-UHFFFAOYSA-N
MW260.10 g/mol
LogP2.96
Rot. Bonds2

About 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine

4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 7022259) has the molecular formula C10H8Cl2FN3 and a molecular weight of 260.10 g/mol. Its IUPAC name is 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID7022259
Molecular FormulaC10H8Cl2FN3
Molecular Weight260.10 g/mol
Exact Mass259.01
IUPAC Name4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C10H8Cl2FN3/c11-7-2-1-3-9(13)6(7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15)
InChIKeyYCRNVRLUIPCVBA-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine (CID 7022259) is 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine is Nc1nn(Cc2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is YCRNVRLUIPCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3/c11-7-2-1-3-9(13)6(7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15).
What are the key properties of 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine?
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 260.10 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7022259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).