N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide

C22H24N4O2 — CID 96539661

IUPACN'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide
SMILESCc1cccc([C@@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-6-10-19(11-16)17(2)12-23-21(27)22(28)25-20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,23,27)(H,25,28)/t17-/m0/s1
InChIKeyQHFNCDYWHDSTAR-KRWDZBQOSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds6

About N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide

N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide (PubChem CID 96539661) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide
PubChem CID96539661
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide
SMILESCc1cccc([C@@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-6-10-19(11-16)17(2)12-23-21(27)22(28)25-20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,23,27)(H,25,28)/t17-/m0/s1
InChIKeyQHFNCDYWHDSTAR-KRWDZBQOSA-N
XLogP3.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)thiourea
CID 19344014
1-(3-chloro-4-fluorophenyl)-3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 39853575
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide
CID 71854653
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 60552750
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19336158
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide?
The IUPAC name of N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide (CID 96539661) is N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide?
The canonical SMILES for N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide is Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide?
The InChIKey is QHFNCDYWHDSTAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-6-10-19(11-16)17(2)12-23-21(27)22(28)25-20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,23,27)(H,25,28)/t17-/m0/s1.
What are the key properties of N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide?
N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide has a molecular weight of 376.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide is sourced from PubChem (CID 96539661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).