N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

C17H11Cl2F2N3O — CID 46947750

IUPACN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O/c18-11-3-1-4-12(19)10(11)9-24-8-7-15(23-24)22-17(25)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,22,23,25)
InChIKeyLORIHDOJAHRQFR-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.77
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 46947750) has the molecular formula C17H11Cl2F2N3O and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID46947750
Molecular FormulaC17H11Cl2F2N3O
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O/c18-11-3-1-4-12(19)10(11)9-24-8-7-15(23-24)22-17(25)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,22,23,25)
InChIKeyLORIHDOJAHRQFR-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
Gsk-5498A
CID 46945384
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
CID 810450
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
4-chloro-N-[1-(2-cyanoethyl)pyrazol-3-yl]benzamide
CID 2334898
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316
2-chloro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817303
2-chloro-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24818855
3-fluoro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24819214
N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
CID 35537998

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (CID 46947750) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is O=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)c1c(F)cccc1F.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is LORIHDOJAHRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O/c18-11-3-1-4-12(19)10(11)9-24-8-7-15(23-24)22-17(25)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,22,23,25).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 382.20 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 46947750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).