N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C30H32N4O2 — CID 3979358

IUPACN-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C30H32N4O2/c1-21-13-11-12-18-25(21)34-27(20-26(33-34)30(2,3)4)32-29(36)24(19-22-14-7-5-8-15-22)31-28(35)23-16-9-6-10-17-23/h5-18,20,24H,19H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyJGUDFSKPPFMMGO-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.46
Rot. Bonds7

About N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 3979358) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID3979358
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C30H32N4O2/c1-21-13-11-12-18-25(21)34-27(20-26(33-34)30(2,3)4)32-29(36)24(19-22-14-7-5-8-15-22)31-28(35)23-16-9-6-10-17-23/h5-18,20,24H,19H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyJGUDFSKPPFMMGO-UHFFFAOYSA-N
XLogP5.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-hexylbenzamide
CID 98402824
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-phenyl-2-[(2-phenylsulfanylacetyl)amino]propanamide
CID 3992455
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580
4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
CID 42730573
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42732923
N-benzyl-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 3436068
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methyl-4-phenylbenzamide
CID 42735487
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 42732928

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 3979358) is N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is JGUDFSKPPFMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-21-13-11-12-18-25(21)34-27(20-26(33-34)30(2,3)4)32-29(36)24(19-22-14-7-5-8-15-22)31-28(35)23-16-9-6-10-17-23/h5-18,20,24H,19H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 3979358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).