5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide

C22H26N4O2 — CID 69276880

IUPAC5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(Nc2cc(C)nn2-c2ccc(C)cc2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C22H26N4O2/c1-14(2)23-22(27)19-13-18(28-5)10-11-20(19)24-21-12-16(4)25-26(21)17-8-6-15(3)7-9-17/h6-14,24H,1-5H3,(H,23,27)
InChIKeyZOBAEAPNZFAHRM-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.38
Rot. Bonds6

About 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide

5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 69276880) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
PubChem CID69276880
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(Nc2cc(C)nn2-c2ccc(C)cc2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C22H26N4O2/c1-14(2)23-22(27)19-13-18(28-5)10-11-20(19)24-21-12-16(4)25-26(21)17-8-6-15(3)7-9-17/h6-14,24H,1-5H3,(H,23,27)
InChIKeyZOBAEAPNZFAHRM-UHFFFAOYSA-N
XLogP4.38
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
CID 141175690
5-methoxy-2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzaldehyde
CID 142904076
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
5-methoxy-2-[[1-(2-methylphenyl)-3-(4-methylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69277760
2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide
CID 91314115
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 97337471
5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
CID 71211731
2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide
CID 69277803
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
5-methoxy-2-[(4-methylphenyl)sulfonylamino]-N-[1-(6-methyl-3-pyridinyl)propyl]benzamide
CID 58892006
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide (CID 69276880) is 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide is COc1ccc(Nc2cc(C)nn2-c2ccc(C)cc2)c(C(=O)NC(C)C)c1.
What is the InChIKey of 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ZOBAEAPNZFAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)23-22(27)19-13-18(28-5)10-11-20(19)24-21-12-16(4)25-26(21)17-8-6-15(3)7-9-17/h6-14,24H,1-5H3,(H,23,27).
What are the key properties of 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide?
5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 69276880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).