tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate

C10H17N3O2 — CID 103854077

IUPACtert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-7(8-5-11-12-6-8)13-9(14)15-10(2,3)4/h5-7H,1-4H3,(H,11,12)(H,13,14)
InChIKeyPAGQXFSRGPLPCD-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate

tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate (PubChem CID 103854077) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
PubChem CID103854077
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-7(8-5-11-12-6-8)13-9(14)15-10(2,3)4/h5-7H,1-4H3,(H,11,12)(H,13,14)
InChIKeyPAGQXFSRGPLPCD-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Boc-aminomethyl)pyrazole
CID 47003356
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CID 165641857
tert-butyl N-[2-amino-2-(1-methyl-1H-pyrazol-4-yl)ethyl]carbamate
CID 165832915
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
tert-butyl N-[2-ethyl-2-[(4-methyl-1H-pyrazol-5-yl)methylamino]butyl]carbamate
CID 137982710
N-Boc-3-(trifluoromethyl)-1H-pyrazole-4-methanamine
CID 135346195
2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
CID 103853177
tert-butyl N-[2,2-difluoro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]carbamate
CID 104954005
tert-butyl N-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-ynyl]carbamate
CID 169542297
tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 60999570
tert-Butyl ((3-methyl-1H-pyrazol-4-yl)methyl)carbamate
CID 61004500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate (CID 103854077) is tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1cn[nH]c1.
What is the InChIKey of tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The InChIKey is PAGQXFSRGPLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(8-5-11-12-6-8)13-9(14)15-10(2,3)4/h5-7H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 103854077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).