ethyl N-(3-pyrazol-1-ylphenyl)carbamate

C12H13N3O2 — CID 61061847

IUPACethyl N-(3-pyrazol-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-10-5-3-6-11(9-10)15-8-4-7-13-15/h3-9H,2H2,1H3,(H,14,16)
InChIKeyRBNMBLILNITGDE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.44
Rot. Bonds3

About ethyl N-(3-pyrazol-1-ylphenyl)carbamate

ethyl N-(3-pyrazol-1-ylphenyl)carbamate (PubChem CID 61061847) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl N-(3-pyrazol-1-ylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-pyrazol-1-ylphenyl)carbamate
PubChem CID61061847
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl N-(3-pyrazol-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-10-5-3-6-11(9-10)15-8-4-7-13-15/h3-9H,2H2,1H3,(H,14,16)
InChIKeyRBNMBLILNITGDE-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 47089503
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55766227
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The IUPAC name of ethyl N-(3-pyrazol-1-ylphenyl)carbamate (CID 61061847) is ethyl N-(3-pyrazol-1-ylphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The canonical SMILES for ethyl N-(3-pyrazol-1-ylphenyl)carbamate is CCOC(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of ethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The InChIKey is RBNMBLILNITGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)14-10-5-3-6-11(9-10)15-8-4-7-13-15/h3-9H,2H2,1H3,(H,14,16).
What are the key properties of ethyl N-(3-pyrazol-1-ylphenyl)carbamate?
ethyl N-(3-pyrazol-1-ylphenyl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-pyrazol-1-ylphenyl)carbamate is sourced from PubChem (CID 61061847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).