N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide

C19H26N4O2 — CID 37394224

IUPACN-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-3-15(2)17(22-18(24)16-9-5-4-6-10-16)19(25)20-11-7-13-23-14-8-12-21-23/h4-6,8-10,12,14-15,17H,3,7,11,13H2,1-2H3,(H,20,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyIXLQVPMTYFFBNK-RDJZCZTQSA-N
MW342.44 g/mol
LogP2.23
Rot. Bonds9

About N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide (PubChem CID 37394224) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
PubChem CID37394224
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-3-15(2)17(22-18(24)16-9-5-4-6-10-16)19(25)20-11-7-13-23-14-8-12-21-23/h4-6,8-10,12,14-15,17H,3,7,11,13H2,1-2H3,(H,20,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyIXLQVPMTYFFBNK-RDJZCZTQSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
CID 55340414
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
CID 39948471
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
CID 37394425

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide (CID 37394224) is N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide?
The InChIKey is IXLQVPMTYFFBNK-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-15(2)17(22-18(24)16-9-5-4-6-10-16)19(25)20-11-7-13-23-14-8-12-21-23/h4-6,8-10,12,14-15,17H,3,7,11,13H2,1-2H3,(H,20,25)(H,22,24)/t15-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide?
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 37394224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).