methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate

C15H19FN4O2 — CID 75502427

IUPACmethyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1F
InChIInChI=1S/C15H19FN4O2/c1-9-12(10(2)20(3)19-9)8-17-11-5-6-14(13(16)7-11)18-15(21)22-4/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyGDYDVXQMAFGHQU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.97
Rot. Bonds4

About methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate

methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate (PubChem CID 75502427) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
PubChem CID75502427
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Namemethyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1F
InChIInChI=1S/C15H19FN4O2/c1-9-12(10(2)20(3)19-9)8-17-11-5-6-14(13(16)7-11)18-15(21)22-4/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyGDYDVXQMAFGHQU-UHFFFAOYSA-N
XLogP2.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate
CID 84600677
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-amino-4-fluoro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 79231107
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
2,3-difluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid
CID 79835108
methyl 5-amino-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 79231109
methyl N-[4-[[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111952908
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate (CID 75502427) is methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1F.
What is the InChIKey of methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The InChIKey is GDYDVXQMAFGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-9-12(10(2)20(3)19-9)8-17-11-5-6-14(13(16)7-11)18-15(21)22-4/h5-7,17H,8H2,1-4H3,(H,18,21).
What are the key properties of methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate has a molecular weight of 306.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 75502427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).