ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate

C9H16N4O2 — CID 43199855

IUPACethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1cnn(C)c1
InChIInChI=1S/C9H16N4O2/c1-3-15-9(14)12-8(4-10)7-5-11-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyNDIXRLAIEJSIDP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.17
Rot. Bonds4

About ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate

ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate (PubChem CID 43199855) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
PubChem CID43199855
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Nameethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1cnn(C)c1
InChIInChI=1S/C9H16N4O2/c1-3-15-9(14)12-8(4-10)7-5-11-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyNDIXRLAIEJSIDP-UHFFFAOYSA-N
XLogP0.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate (CID 43199855) is ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate is CCOC(=O)NC(CN)c1cnn(C)c1.
What is the InChIKey of ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate?
The InChIKey is NDIXRLAIEJSIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-15-9(14)12-8(4-10)7-5-11-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate?
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 43199855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).