2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

C11H10ClF2N3 — CID 83082033

IUPAC2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1[nH]ncc1CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N3/c1-6-7(5-16-17-6)4-15-11-9(12)2-8(13)3-10(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeySSINQKBHQVIWQV-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 83082033) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID83082033
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1[nH]ncc1CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N3/c1-6-7(5-16-17-6)4-15-11-9(12)2-8(13)3-10(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeySSINQKBHQVIWQV-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
2-chloro-4,6-difluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 83081475
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83076309
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 83082033) is 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is Cc1[nH]ncc1CNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is SSINQKBHQVIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-6-7(5-16-17-6)4-15-11-9(12)2-8(13)3-10(11)14/h2-3,5,15H,4H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 257.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 83082033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).