N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide

C23H26N4O2 — CID 31645970

IUPACN-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-16-21(18(3)27(26-16)15-19-10-6-4-7-11-19)14-24-22(28)17(2)25-23(29)20-12-8-5-9-13-20/h4-13,17H,14-15H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyRZUOYDIDRKMADK-KRWDZBQOSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds7

About N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 31645970) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID31645970
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-16-21(18(3)27(26-16)15-19-10-6-4-7-11-19)14-24-22(28)17(2)25-23(29)20-12-8-5-9-13-20/h4-13,17H,14-15H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyRZUOYDIDRKMADK-KRWDZBQOSA-N
XLogP2.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide
CID 119694415
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
(2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 8944360
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 8944114
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24504416
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide (CID 31645970) is N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is RZUOYDIDRKMADK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-21(18(3)27(26-16)15-19-10-6-4-7-11-19)14-24-22(28)17(2)25-23(29)20-12-8-5-9-13-20/h4-13,17H,14-15H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 31645970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).