N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide

C19H17ClFN3O2 — CID 1246315

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-2-26-14-8-6-13(7-9-14)19(25)22-18-10-11-24(23-18)12-15-16(20)4-3-5-17(15)21/h3-11H,2,12H2,1H3,(H,22,23,25)
InChIKeyKUNXLTVRXALOCZ-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.37
Rot. Bonds6

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide (PubChem CID 1246315) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
PubChem CID1246315
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-2-26-14-8-6-13(7-9-14)19(25)22-18-10-11-24(23-18)12-15-16(20)4-3-5-17(15)21/h3-11H,2,12H2,1H3,(H,22,23,25)
InChIKeyKUNXLTVRXALOCZ-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19285717
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285724
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19285749
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503327
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475845
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide (CID 1246315) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide?
The InChIKey is KUNXLTVRXALOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-2-26-14-8-6-13(7-9-14)19(25)22-18-10-11-24(23-18)12-15-16(20)4-3-5-17(15)21/h3-11H,2,12H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide has a molecular weight of 373.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 1246315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).