3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

C22H24N4O2 — CID 39969631

IUPAC3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NC)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-10-12-17(13-11-16)21-19(22(28)25(3)15-20(27)23-2)14-26(24-21)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,23,27)
InChIKeyMPSBCKYMWPNOHD-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.92
Rot. Bonds6

About 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 39969631) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID39969631
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NC)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-10-12-17(13-11-16)21-19(22(28)25(3)15-20(27)23-2)14-26(24-21)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,23,27)
InChIKeyMPSBCKYMWPNOHD-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 17425443
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55488628
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 9491328
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (CID 39969631) is 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is MPSBCKYMWPNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-16-10-12-17(13-11-16)21-19(22(28)25(3)15-20(27)23-2)14-26(24-21)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,23,27).
What are the key properties of 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 39969631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).