methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate

C19H16FN3O3 — CID 19285180

IUPACmethyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H16FN3O3/c1-26-19(25)15-6-4-14(5-7-15)18(24)21-17-10-11-23(22-17)12-13-2-8-16(20)9-3-13/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyBUUDZWIKWVHHDY-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.11
Rot. Bonds5

About methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate

methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate (PubChem CID 19285180) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
PubChem CID19285180
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Namemethyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H16FN3O3/c1-26-19(25)15-6-4-14(5-7-15)18(24)21-17-10-11-23(22-17)12-13-2-8-16(20)9-3-13/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyBUUDZWIKWVHHDY-UHFFFAOYSA-N
XLogP3.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285165
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate (CID 19285180) is methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate?
The InChIKey is BUUDZWIKWVHHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-26-19(25)15-6-4-14(5-7-15)18(24)21-17-10-11-23(22-17)12-13-2-8-16(20)9-3-13/h2-11H,12H2,1H3,(H,21,22,24).
What are the key properties of methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate?
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate has a molecular weight of 353.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 19285180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).