N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide

C18H14F3N3O — CID 29183806

IUPACN-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H14F3N3O/c19-15-5-6-16(20)18(21)14(15)10-17(25)22-11-12-3-1-4-13(9-12)24-8-2-7-23-24/h1-9H,10-11H2,(H,22,25)
InChIKeyMSKKGVMCPRTLPK-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.15
Rot. Bonds5

About N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide

N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide (PubChem CID 29183806) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
PubChem CID29183806
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H14F3N3O/c19-15-5-6-16(20)18(21)14(15)10-17(25)22-11-12-3-1-4-13(9-12)24-8-2-7-23-24/h1-9H,10-11H2,(H,22,25)
InChIKeyMSKKGVMCPRTLPK-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 56705409
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
1-(2-bromo-4-fluoroanilino)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967357
2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 86965050
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967080
1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966925
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966975
4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide?
The IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide (CID 29183806) is N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide.
What is the SMILES notation for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide?
The canonical SMILES for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide is O=C(Cc1c(F)ccc(F)c1F)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide?
The InChIKey is MSKKGVMCPRTLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-15-5-6-16(20)18(21)14(15)10-17(25)22-11-12-3-1-4-13(9-12)24-8-2-7-23-24/h1-9H,10-11H2,(H,22,25).
What are the key properties of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide?
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide has a molecular weight of 345.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide is sourced from PubChem (CID 29183806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).