N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C20H19ClN4O2 — CID 55990233

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-3-18-16(12-23-25(18)14-7-5-4-6-8-14)20(27)24-13-9-10-17(21)15(11-13)19(26)22-2/h4-12H,3H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyFMLXMZWNZWQDMB-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.70
Rot. Bonds5

About N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55990233) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID55990233
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-3-18-16(12-23-25(18)14-7-5-4-6-8-14)20(27)24-13-9-10-17(21)15(11-13)19(26)22-2/h4-12H,3H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyFMLXMZWNZWQDMB-UHFFFAOYSA-N
XLogP3.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 134043311
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55946238
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55585413
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 55990233) is N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is FMLXMZWNZWQDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-18-16(12-23-25(18)14-7-5-4-6-8-14)20(27)24-13-9-10-17(21)15(11-13)19(26)22-2/h4-12H,3H2,1-2H3,(H,22,26)(H,24,27).
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55990233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).