4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide

C18H16ClN3O2 — CID 35522479

IUPAC4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-2-22-12-16(19)17(21-22)18(23)20-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,23)
InChIKeyRZVJWJLNWVWSIF-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.60
Rot. Bonds5

About 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide (PubChem CID 35522479) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
PubChem CID35522479
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-2-22-12-16(19)17(21-22)18(23)20-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,23)
InChIKeyRZVJWJLNWVWSIF-UHFFFAOYSA-N
XLogP4.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
4-chloro-1-ethyl-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263365
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19263270
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263279
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide (CID 35522479) is 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is RZVJWJLNWVWSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-22-12-16(19)17(21-22)18(23)20-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,23).
What are the key properties of 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35522479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).