2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline

C14H15Cl2F2N3 — CID 83073224

IUPAC2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline
SMILESCCc1nn(CC)c(CNc2c(F)cc(F)cc2Cl)c1Cl
InChIInChI=1S/C14H15Cl2F2N3/c1-3-11-13(16)12(21(4-2)20-11)7-19-14-9(15)5-8(17)6-10(14)18/h5-6,19H,3-4,7H2,1-2H3
InChIKeyPMHPGQPGSKVRKA-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.66
Rot. Bonds5

About 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline

2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline (PubChem CID 83073224) has the molecular formula C14H15Cl2F2N3 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline
PubChem CID83073224
Molecular FormulaC14H15Cl2F2N3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Name2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline
SMILESCCc1nn(CC)c(CNc2c(F)cc(F)cc2Cl)c1Cl
InChIInChI=1S/C14H15Cl2F2N3/c1-3-11-13(16)12(21(4-2)20-11)7-19-14-9(15)5-8(17)6-10(14)18/h5-6,19H,3-4,7H2,1-2H3
InChIKeyPMHPGQPGSKVRKA-UHFFFAOYSA-N
XLogP4.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline (CID 83073224) is 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline is CCc1nn(CC)c(CNc2c(F)cc(F)cc2Cl)c1Cl.
What is the InChIKey of 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline?
The InChIKey is PMHPGQPGSKVRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F2N3/c1-3-11-13(16)12(21(4-2)20-11)7-19-14-9(15)5-8(17)6-10(14)18/h5-6,19H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline?
2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline has a molecular weight of 334.20 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 83073224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).