2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide

C21H24N4O2 — CID 91314115

IUPAC2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide
SMILESCOc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-13-19(25(24-18)14-8-6-5-7-9-14)23-17-11-10-15(27-4)12-16(17)20(22)26/h5-13,23H,1-4H3,(H2,22,26)
InChIKeyFHBWGKMGYHIEHI-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.02
Rot. Bonds5

About 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide

2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide (PubChem CID 91314115) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide
PubChem CID91314115
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide
SMILESCOc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-13-19(25(24-18)14-8-6-5-7-9-14)23-17-11-10-15(27-4)12-16(17)20(22)26/h5-13,23H,1-4H3,(H2,22,26)
InChIKeyFHBWGKMGYHIEHI-UHFFFAOYSA-N
XLogP4.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-tert-butyl-1-(2,6-dimethylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 10069159
2-[[3-tert-butyl-1-(2-methylsulfanylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 10409368
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 3467308
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
2-bromo-N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-5-methoxybenzamide
CID 46088061
2-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3544759
2-[(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)amino]-5-chlorobenzoic acid
CID 71211723
5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid
CID 69276977
5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
CID 69276880
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
2-[[3-tert-butyl-1-(2-ethylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276574

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide?
The IUPAC name of 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide (CID 91314115) is 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide.
What is the SMILES notation for 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide?
The canonical SMILES for 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide is COc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C(N)=O)c1.
What is the InChIKey of 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide?
The InChIKey is FHBWGKMGYHIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)18-13-19(25(24-18)14-8-6-5-7-9-14)23-17-11-10-15(27-4)12-16(17)20(22)26/h5-13,23H,1-4H3,(H2,22,26).
What are the key properties of 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide?
2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide is sourced from PubChem (CID 91314115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).