N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide

C17H22N4O3 — CID 51819593

IUPACN'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C17H22N4O3/c1-11(22)9-18-16(23)17(24)19-15-12(2)20-21(13(15)3)10-14-7-5-4-6-8-14/h4-8,11,22H,9-10H2,1-3H3,(H,18,23)(H,19,24)/t11-/m0/s1
InChIKeyGMTZZXZBBFVOPG-NSHDSACASA-N
MW330.39 g/mol
LogP0.98
Rot. Bonds5

About N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide

N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide (PubChem CID 51819593) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide
PubChem CID51819593
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C17H22N4O3/c1-11(22)9-18-16(23)17(24)19-15-12(2)20-21(13(15)3)10-14-7-5-4-6-8-14/h4-8,11,22H,9-10H2,1-3H3,(H,18,23)(H,19,24)/t11-/m0/s1
InChIKeyGMTZZXZBBFVOPG-NSHDSACASA-N
XLogP0.98
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-propan-2-ylthiourea
CID 19342709
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide
CID 53370533
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335833
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498502
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide?
The IUPAC name of N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide (CID 51819593) is N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide?
The canonical SMILES for N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NC[C@H](C)O.
What is the InChIKey of N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide?
The InChIKey is GMTZZXZBBFVOPG-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)9-18-16(23)17(24)19-15-12(2)20-21(13(15)3)10-14-7-5-4-6-8-14/h4-8,11,22H,9-10H2,1-3H3,(H,18,23)(H,19,24)/t11-/m0/s1.
What are the key properties of N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide?
N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide has a molecular weight of 330.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 51819593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).