tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate

C17H24N4O2 — CID 107239819

IUPACtert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-12(13-10-18-21(5)11-13)19-14-7-6-8-15(9-14)20-16(22)23-17(2,3)4/h6-12,19H,1-5H3,(H,20,22)
InChIKeySBJMVLISMYKPLK-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate

tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate (PubChem CID 107239819) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
PubChem CID107239819
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-12(13-10-18-21(5)11-13)19-14-7-6-8-15(9-14)20-16(22)23-17(2,3)4/h6-12,19H,1-5H3,(H,20,22)
InChIKeySBJMVLISMYKPLK-UHFFFAOYSA-N
XLogP3.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-butan-2-yl]oxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 129367586
tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
CID 114058208
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
tert-butyl N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239977
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286357
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239913
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoic acid
CID 107239920

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate (CID 107239819) is tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate is CC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cnn(C)c1.
What is the InChIKey of tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate?
The InChIKey is SBJMVLISMYKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(13-10-18-21(5)11-13)19-14-7-6-8-15(9-14)20-16(22)23-17(2,3)4/h6-12,19H,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate has a molecular weight of 316.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 107239819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).