methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate

C15H18FN3O2 — CID 103571443

IUPACmethyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
SMILESCCCn1cc(CNc2cc(F)ccc2C(=O)OC)cn1
InChIInChI=1S/C15H18FN3O2/c1-3-6-19-10-11(9-18-19)8-17-14-7-12(16)4-5-13(14)15(20)21-2/h4-5,7,9-10,17H,3,6,8H2,1-2H3
InChIKeyURKHMZVYNXPTFU-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.83
Rot. Bonds6

About methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate

methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate (PubChem CID 103571443) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
PubChem CID103571443
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Namemethyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
SMILESCCCn1cc(CNc2cc(F)ccc2C(=O)OC)cn1
InChIInChI=1S/C15H18FN3O2/c1-3-6-19-10-11(9-18-19)8-17-14-7-12(16)4-5-13(14)15(20)21-2/h4-5,7,9-10,17H,3,6,8H2,1-2H3
InChIKeyURKHMZVYNXPTFU-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
methyl 4-fluoro-2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410051
methyl 2-[(3,4-difluorophenyl)methylamino]-4-fluorobenzoate
CID 43735155
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
methyl 4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 54868582
methyl 2-[(3-bromo-4-chlorophenyl)methylamino]-4-fluorobenzoate
CID 83232628
5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818052
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
CID 103571528
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate (CID 103571443) is methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate is CCCn1cc(CNc2cc(F)ccc2C(=O)OC)cn1.
What is the InChIKey of methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate?
The InChIKey is URKHMZVYNXPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-6-19-10-11(9-18-19)8-17-14-7-12(16)4-5-13(14)15(20)21-2/h4-5,7,9-10,17H,3,6,8H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate?
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate has a molecular weight of 291.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate is sourced from PubChem (CID 103571443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).