N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C15H11ClFN3O2S — CID 39853967

IUPACN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cccs1
InChIInChI=1S/C15H11ClFN3O2S/c16-12-6-10(17)3-4-13(12)22-9-20-8-11(7-18-20)19-15(21)14-2-1-5-23-14/h1-8H,9H2,(H,19,21)
InChIKeyNHDCGOGBXHIJKA-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide

N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 39853967) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID39853967
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cccs1
InChIInChI=1S/C15H11ClFN3O2S/c16-12-6-10(17)3-4-13(12)22-9-20-8-11(7-18-20)19-15(21)14-2-1-5-23-14/h1-8H,9H2,(H,19,21)
InChIKeyNHDCGOGBXHIJKA-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(2-chlorophenyl)urea
CID 35592335
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
CID 39854205
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 56725277
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276862
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19395593
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
2-(2-chloro-4-fluorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]acetamide
CID 49088411
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19496000
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483383

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 39853967) is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cccs1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is NHDCGOGBXHIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-12-6-10(17)3-4-13(12)22-9-20-8-11(7-18-20)19-15(21)14-2-1-5-23-14/h1-8H,9H2,(H,19,21).
What are the key properties of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39853967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).