ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate

C12H12ClN3O2 — CID 61062622

IUPACethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)15-10-8-9(13)4-5-11(10)16-7-3-6-14-16/h3-8H,2H2,1H3,(H,15,17)
InChIKeyRQBVAQJCUNGMSC-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.09
Rot. Bonds3

About ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate

ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate (PubChem CID 61062622) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
PubChem CID61062622
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Nameethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)15-10-8-9(13)4-5-11(10)16-7-3-6-14-16/h3-8H,2H2,1H3,(H,15,17)
InChIKeyRQBVAQJCUNGMSC-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate?
The IUPAC name of ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate (CID 61062622) is ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate?
The canonical SMILES for ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate is CCOC(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate?
The InChIKey is RQBVAQJCUNGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-18-12(17)15-10-8-9(13)4-5-11(10)16-7-3-6-14-16/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate?
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate has a molecular weight of 265.70 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate is sourced from PubChem (CID 61062622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).