tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate

C15H20N4O2 — CID 117465942

IUPACtert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
SMILESCn1ncc(-c2cccc(NC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)12-9-17-19(4)13(12)16/h5-9H,16H2,1-4H3,(H,18,20)
InChIKeyIUNPJAQWBMZYQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate (PubChem CID 117465942) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
PubChem CID117465942
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
SMILESCn1ncc(-c2cccc(NC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)12-9-17-19(4)13(12)16/h5-9H,16H2,1-4H3,(H,18,20)
InChIKeyIUNPJAQWBMZYQB-UHFFFAOYSA-N
XLogP3.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]carbamate
CID 117465922
tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate
CID 115112487
tert-butyl N-[3-(2-methyltriazol-4-yl)phenyl]carbamate
CID 166844908
6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53229690
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228867
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875
2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
CID 115112459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate (CID 117465942) is tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate is Cn1ncc(-c2cccc(NC(=O)OC(C)(C)C)c2)c1N.
What is the InChIKey of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate?
The InChIKey is IUNPJAQWBMZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)12-9-17-19(4)13(12)16/h5-9H,16H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate?
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 117465942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).