tert-butyl N-(1-ethylpyrazol-4-yl)carbamate

C10H17N3O2 — CID 65142970

IUPACtert-butyl N-(1-ethylpyrazol-4-yl)carbamate
SMILESCCn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C10H17N3O2/c1-5-13-7-8(6-11-13)12-9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyDQQPJIMHJXATEQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl N-(1-ethylpyrazol-4-yl)carbamate

tert-butyl N-(1-ethylpyrazol-4-yl)carbamate (PubChem CID 65142970) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(1-ethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-ethylpyrazol-4-yl)carbamate
PubChem CID65142970
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-(1-ethylpyrazol-4-yl)carbamate
SMILESCCn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C10H17N3O2/c1-5-13-7-8(6-11-13)12-9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyDQQPJIMHJXATEQ-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
CID 178003052
CID 178003052
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
2-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]methyl]phenyl]acetic acid
CID 121207712
tert-butyl N-[2-[[(1-ethylpyrazol-4-yl)amino]methyl]-4-fluorophenyl]carbamate
CID 136558664
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
CID 174614220
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-ethylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-ethylpyrazol-4-yl)carbamate (CID 65142970) is tert-butyl N-(1-ethylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-ethylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-ethylpyrazol-4-yl)carbamate is CCn1cc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-(1-ethylpyrazol-4-yl)carbamate?
The InChIKey is DQQPJIMHJXATEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-13-7-8(6-11-13)12-9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(1-ethylpyrazol-4-yl)carbamate?
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-ethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 65142970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).