N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide

C30H32N4O2 — CID 4690976

IUPACN,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC)CC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2C)cc1
InChIInChI=1S/C30H32N4O2/c1-5-23-16-18-25(19-17-23)30(36)33(6-2)20-27(35)31-29-28(24-13-8-7-9-14-24)22(4)32-34(29)26-15-11-10-12-21(26)3/h7-19H,5-6,20H2,1-4H3,(H,31,35)
InChIKeyABKWZIZECGSKNC-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.82
Rot. Bonds8

About N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide

N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide (PubChem CID 4690976) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
PubChem CID4690976
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC)CC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2C)cc1
InChIInChI=1S/C30H32N4O2/c1-5-23-16-18-25(19-17-23)30(36)33(6-2)20-27(35)31-29-28(24-13-8-7-9-14-24)22(4)32-34(29)26-15-11-10-12-21(26)3/h7-19H,5-6,20H2,1-4H3,(H,31,35)
InChIKeyABKWZIZECGSKNC-UHFFFAOYSA-N
XLogP5.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 5141767
2-[(4-chlorophenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4994459
N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4216904
N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylhexanamide
CID 42736766
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3281222
N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42736722
2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3964608
2-[(3-cyanophenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 42736028
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4012735
2-methoxy-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42736732
N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 3348155
4-bromo-N-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 3624607

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide (CID 4690976) is N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide is CCc1ccc(C(=O)N(CC)CC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2C)cc1.
What is the InChIKey of N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is ABKWZIZECGSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-5-23-16-18-25(19-17-23)30(36)33(6-2)20-27(35)31-29-28(24-13-8-7-9-14-24)22(4)32-34(29)26-15-11-10-12-21(26)3/h7-19H,5-6,20H2,1-4H3,(H,31,35).
What are the key properties of N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide?
N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4690976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).