5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 3741847

IUPAC5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)c2c(-c3ccccc3)nn(C)c2Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)15-9-11-17(12-10-15)25-18(28)13-24-22(29)19-20(26-27(3)21(19)23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyQQUKOGSFRXDRNX-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.23
Rot. Bonds6

About 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide

5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 3741847) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID3741847
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)c2c(-c3ccccc3)nn(C)c2Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)15-9-11-17(12-10-15)25-18(28)13-24-22(29)19-20(26-27(3)21(19)23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyQQUKOGSFRXDRNX-UHFFFAOYSA-N
XLogP4.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide (CID 3741847) is 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide is CC(C)c1ccc(NC(=O)CNC(=O)c2c(-c3ccccc3)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is QQUKOGSFRXDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14(2)15-9-11-17(12-10-15)25-18(28)13-24-22(29)19-20(26-27(3)21(19)23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide?
5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3741847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).