4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide

C21H30N4O2 — CID 71936230

IUPAC4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C21H30N4O2/c1-14(18(26)24-17-12-22-25(13-17)21(5,6)7)23-19(27)15-8-10-16(11-9-15)20(2,3)4/h8-14H,1-7H3,(H,23,27)(H,24,26)
InChIKeyIUCHMGVVECUQGJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.69
Rot. Bonds4

About 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 71936230) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID71936230
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C21H30N4O2/c1-14(18(26)24-17-12-22-25(13-17)21(5,6)7)23-19(27)15-8-10-16(11-9-15)20(2,3)4/h8-14H,1-7H3,(H,23,27)(H,24,26)
InChIKeyIUCHMGVVECUQGJ-UHFFFAOYSA-N
XLogP3.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
CID 86791882
4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide
CID 75399348
ethyl 4-[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 95783175
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 86861977
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide
CID 75387715
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
N-(1-tert-butylpyrazol-4-yl)-4-(1,3-dithian-2-yl)benzamide
CID 86860524

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide (CID 71936230) is 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is IUCHMGVVECUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(18(26)24-17-12-22-25(13-17)21(5,6)7)23-19(27)15-8-10-16(11-9-15)20(2,3)4/h8-14H,1-7H3,(H,23,27)(H,24,26).
What are the key properties of 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 71936230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).