N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide

C27H26N4O2 — CID 16575195

IUPACN-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-26(20(2)31(30-19)23-16-10-5-11-17-23)29-25(32)18-24(21-12-6-3-7-13-21)28-27(33)22-14-8-4-9-15-22/h3-17,24H,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyMPVVFEGFTHTADX-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.99
Rot. Bonds7

About N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 16575195) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID16575195
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-26(20(2)31(30-19)23-16-10-5-11-17-23)29-25(32)18-24(21-12-6-3-7-13-21)28-27(33)22-14-8-4-9-15-22/h3-17,24H,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyMPVVFEGFTHTADX-UHFFFAOYSA-N
XLogP4.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 31844726
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897851
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[3-[1-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 46688160
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132476
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 16575195) is N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is MPVVFEGFTHTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-26(20(2)31(30-19)23-16-10-5-11-17-23)29-25(32)18-24(21-12-6-3-7-13-21)28-27(33)22-14-8-4-9-15-22/h3-17,24H,18H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 16575195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).