tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate

C10H16N4O3 — CID 65143031

IUPACtert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-7-4-12-14(5-7)6-8(11)15/h4-5H,6H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyDZLCUURKQNNFJQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.72
Rot. Bonds3

About tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate (PubChem CID 65143031) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
PubChem CID65143031
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nametert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-7-4-12-14(5-7)6-8(11)15/h4-5H,6H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyDZLCUURKQNNFJQ-UHFFFAOYSA-N
XLogP0.72
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
CID 178003052
CID 178003052
2-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]methyl]phenyl]acetic acid
CID 121207712
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
tert-butyl 4-(carbamothioylamino)pyrazole-1-carboxylate
CID 134821945
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate (CID 65143031) is tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate?
The InChIKey is DZLCUURKQNNFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-7-4-12-14(5-7)6-8(11)15/h4-5H,6H2,1-3H3,(H2,11,15)(H,13,16).
What are the key properties of tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate has a molecular weight of 240.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 65143031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).