tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate

C12H20N4O2 — CID 169466995

IUPACtert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCn1ncc(C=CCNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-5-6-9-8-15-16(4)10(9)13/h5-6,8H,7,13H2,1-4H3,(H,14,17)
InChIKeyLYGZOYPDSSTOTF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate (PubChem CID 169466995) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
PubChem CID169466995
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCn1ncc(C=CCNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-5-6-9-8-15-16(4)10(9)13/h5-6,8H,7,13H2,1-4H3,(H,14,17)
InChIKeyLYGZOYPDSSTOTF-UHFFFAOYSA-N
XLogP1.54
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169467613
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518
tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
4-(5-amino-1-methylpyrazol-4-yl)but-3-enoic acid
CID 170483094
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169467138
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
CID 169467171
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate (CID 169466995) is tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate is Cn1ncc(C=CCNC(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate?
The InChIKey is LYGZOYPDSSTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-5-6-9-8-15-16(4)10(9)13/h5-6,8H,7,13H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate has a molecular weight of 252.32 g/mol, XLogP of 1.54, 3 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)prop-2-enyl]carbamate is sourced from PubChem (CID 169466995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).