tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate

C16H21FN4O2 — CID 107240522

IUPACtert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccn[nH]1
InChIInChI=1S/C16H21FN4O2/c1-10(13-7-8-18-21-13)19-11-5-6-12(17)14(9-11)20-15(22)23-16(2,3)4/h5-10,19H,1-4H3,(H,18,21)(H,20,22)
InChIKeyLXZRHNKTJGVNKJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate (PubChem CID 107240522) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate
PubChem CID107240522
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Nametert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccn[nH]1
InChIInChI=1S/C16H21FN4O2/c1-10(13-7-8-18-21-13)19-11-5-6-12(17)14(9-11)20-15(22)23-16(2,3)4/h5-10,19H,1-4H3,(H,18,21)(H,20,22)
InChIKeyLXZRHNKTJGVNKJ-UHFFFAOYSA-N
XLogP4.07
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
CID 107240614
tert-butyl N-(2,5-difluorophenyl)carbamate
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tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
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tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
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tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
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tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536
dimethyl (E)-2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]but-2-enedioate
CID 168569555
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582
tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
CID 107240649

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate (CID 107240522) is tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate is CC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccn[nH]1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate?
The InChIKey is LXZRHNKTJGVNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-10(13-7-8-18-21-13)19-11-5-6-12(17)14(9-11)20-15(22)23-16(2,3)4/h5-10,19H,1-4H3,(H,18,21)(H,20,22).
What are the key properties of tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate has a molecular weight of 320.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 107240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).