1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide

C12H12ClN3O2 — CID 121364700

IUPAC1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide
SMILESCCc1c(C(N)=O)c(Oc2ccccc2)nn1Cl
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)17)12(15-16(9)13)18-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyXDYWNPBVDDKJLR-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.34
Rot. Bonds4

About 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide

1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide (PubChem CID 121364700) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide
PubChem CID121364700
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide
SMILESCCc1c(C(N)=O)c(Oc2ccccc2)nn1Cl
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)17)12(15-16(9)13)18-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyXDYWNPBVDDKJLR-UHFFFAOYSA-N
XLogP2.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
CID 69092284
4-phenoxy-2,6-di(propan-2-yl)benzamide
CID 174677959
6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
CID 142991898
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
calcium;hydride;phenoxybenzene;propanoic acid;dihydrate
CID 173246790
butane;phenyl carbamate
CID 145076324
anisole;propanamide
CID 159387798
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
[3-amino-4-carbamoyl-5-(4-phenoxyphenyl)pyrazol-1-yl] 2,2,2-trifluoroacetate
CID 174929738
2-ethyl-3-phenoxypyrazine
CID 141210121
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide?
The IUPAC name of 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide (CID 121364700) is 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide?
The canonical SMILES for 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide is CCc1c(C(N)=O)c(Oc2ccccc2)nn1Cl.
What is the InChIKey of 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide?
The InChIKey is XDYWNPBVDDKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-9-10(11(14)17)12(15-16(9)13)18-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,17).
What are the key properties of 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide?
1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethyl-3-phenoxypyrazole-4-carboxamide is sourced from PubChem (CID 121364700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).