ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate

C11H17N3O3 — CID 71810209

IUPACethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(15)13-9-7-12-14(8-9)10-3-5-16-6-4-10/h7-8,10H,2-6H2,1H3,(H,13,15)
InChIKeyILCOOBAUPNDSSL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.80
Rot. Bonds3

About ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate

ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate (PubChem CID 71810209) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate
PubChem CID71810209
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(15)13-9-7-12-14(8-9)10-3-5-16-6-4-10/h7-8,10H,2-6H2,1H3,(H,13,15)
InChIKeyILCOOBAUPNDSSL-UHFFFAOYSA-N
XLogP1.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
rac-tert-butyl N-[(3R,4S)-4-(4-amino-1H-pyrazol-1-yl)oxolan-3-yl]carbamate
CID 132388300
1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
2,2,2-trifluoroethyl N-(1-ethyl-1H-pyrazol-4-yl)carbamate
CID 43543991
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)pivalamide
CID 71810166
2-methyl-1-oxo-1-((1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)amino)propan-2-yl acetate
CID 71810260
(S)-1-[N-1-(tetrahydro-4H-pyran-4-yl)-4-pyrazolylcarbamoyl]ethyl 2-methyl-2-propanecarbamate
CID 97428289

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate (CID 71810209) is ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate is CCOC(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate?
The InChIKey is ILCOOBAUPNDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-17-11(15)13-9-7-12-14(8-9)10-3-5-16-6-4-10/h7-8,10H,2-6H2,1H3,(H,13,15).
What are the key properties of ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate?
ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(oxan-4-yl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 71810209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).