[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate

C14H18N4O2 — CID 68851792

IUPAC[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate
SMILESCCc1c(N)n[nH]c1C(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C14H18N4O2/c1-2-10-12(17-18-13(10)15)11(20-14(16)19)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,16,19)(H3,15,17,18)
InChIKeyJUGKMVFPJWSYLM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.93
Rot. Bonds5

About [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate

[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate (PubChem CID 68851792) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate.

Molecular Properties

Compound Name[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate
PubChem CID68851792
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate
SMILESCCc1c(N)n[nH]c1C(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C14H18N4O2/c1-2-10-12(17-18-13(10)15)11(20-14(16)19)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,16,19)(H3,15,17,18)
InChIKeyJUGKMVFPJWSYLM-UHFFFAOYSA-N
XLogP1.93
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate?
The IUPAC name of [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate (CID 68851792) is [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate.
What is the SMILES notation for [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate?
The canonical SMILES for [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate is CCc1c(N)n[nH]c1C(Cc1ccccc1)OC(N)=O.
What is the InChIKey of [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate?
The InChIKey is JUGKMVFPJWSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-12(17-18-13(10)15)11(20-14(16)19)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,16,19)(H3,15,17,18).
What are the key properties of [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate?
[1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-ethyl-1H-pyrazol-5-yl)-2-phenylethyl] carbamate is sourced from PubChem (CID 68851792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).