N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide

C20H21N5O2 — CID 97257729

IUPACN-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
SMILESCc1cccc([C@H](C)CNC(=O)C(=O)Nc2cn[nH]c2-c2ccccn2)c1
InChIInChI=1S/C20H21N5O2/c1-13-6-5-7-15(10-13)14(2)11-22-19(26)20(27)24-17-12-23-25-18(17)16-8-3-4-9-21-16/h3-10,12,14H,11H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t14-/m1/s1
InChIKeyHPYZENWHMMPRJM-CQSZACIVSA-N
MW363.42 g/mol
LogP2.64
Rot. Bonds5

About N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide

N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide (PubChem CID 97257729) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
PubChem CID97257729
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
SMILESCc1cccc([C@H](C)CNC(=O)C(=O)Nc2cn[nH]c2-c2ccccn2)c1
InChIInChI=1S/C20H21N5O2/c1-13-6-5-7-15(10-13)14(2)11-22-19(26)20(27)24-17-12-23-25-18(17)16-8-3-4-9-21-16/h3-10,12,14H,11H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t14-/m1/s1
InChIKeyHPYZENWHMMPRJM-CQSZACIVSA-N
XLogP2.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
CID 75443487
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
CID 75397330
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide
CID 96539661
2-pyridin-3-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetamide
CID 166192558
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
1-[(3-cyanophenyl)methyl]-1-methyl-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
CID 71906563
2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide
CID 166225176
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
1-(2-propylpyrazol-3-yl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
CID 71913780

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The IUPAC name of N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide (CID 97257729) is N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide.
What is the SMILES notation for N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The canonical SMILES for N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide is Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2cn[nH]c2-c2ccccn2)c1.
What is the InChIKey of N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The InChIKey is HPYZENWHMMPRJM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-6-5-7-15(10-13)14(2)11-22-19(26)20(27)24-17-12-23-25-18(17)16-8-3-4-9-21-16/h3-10,12,14H,11H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide has a molecular weight of 363.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide is sourced from PubChem (CID 97257729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).