tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate

C10H16N4O3 — CID 135361965

IUPACtert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
SMILESCn1ncc(C(N)=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-8-6(7(11)15)5-12-14(8)4/h5H,1-4H3,(H2,11,15)(H,13,16)
InChIKeyQAWGFEVILAVBQN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.87
Rot. Bonds2

About tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate

tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate (PubChem CID 135361965) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
PubChem CID135361965
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nametert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
SMILESCn1ncc(C(N)=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-8-6(7(11)15)5-12-14(8)4/h5H,1-4H3,(H2,11,15)(H,13,16)
InChIKeyQAWGFEVILAVBQN-UHFFFAOYSA-N
XLogP0.87
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
CID 136993121
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
CID 107256256
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
CID 107256358
tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
CID 107256246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate (CID 135361965) is tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate is Cn1ncc(C(N)=O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate?
The InChIKey is QAWGFEVILAVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,3)17-9(16)13-8-6(7(11)15)5-12-14(8)4/h5H,1-4H3,(H2,11,15)(H,13,16).
What are the key properties of tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate?
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate has a molecular weight of 240.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate is sourced from PubChem (CID 135361965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).