N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

C18H17ClFN3O2S — CID 19469562

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H17ClFN3O2S/c1-2-23-16(15(19)8-22-23)9-21-18(24)17-7-12(11-26-17)10-25-14-5-3-13(20)4-6-14/h3-8,11H,2,9-10H2,1H3,(H,21,24)
InChIKeyINTYIKZSRCGCIT-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.27
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469562) has the molecular formula C18H17ClFN3O2S and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469562
Molecular FormulaC18H17ClFN3O2S
Molecular Weight393.87 g/mol
Exact Mass393.07
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H17ClFN3O2S/c1-2-23-16(15(19)8-22-23)9-21-18(24)17-7-12(11-26-17)10-25-14-5-3-13(20)4-6-14/h3-8,11H,2,9-10H2,1H3,(H,21,24)
InChIKeyINTYIKZSRCGCIT-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503188
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-difluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19469801
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499092
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469412
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469562) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is INTYIKZSRCGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S/c1-2-23-16(15(19)8-22-23)9-21-18(24)17-7-12(11-26-17)10-25-14-5-3-13(20)4-6-14/h3-8,11H,2,9-10H2,1H3,(H,21,24).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).