N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide

C19H21N7O2 — CID 122149755

IUPACN'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
SMILESCc1ccccc1-c1cc(NC(=O)C(=O)Nc2cnc(N(C)C)nc2)n(C)n1
InChIInChI=1S/C19H21N7O2/c1-12-7-5-6-8-14(12)15-9-16(26(4)24-15)23-18(28)17(27)22-13-10-20-19(21-11-13)25(2)3/h5-11H,1-4H3,(H,22,27)(H,23,28)
InChIKeyIMSFUZLVOUHCLT-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.83
Rot. Bonds4

About N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide

N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide (PubChem CID 122149755) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
PubChem CID122149755
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
SMILESCc1ccccc1-c1cc(NC(=O)C(=O)Nc2cnc(N(C)C)nc2)n(C)n1
InChIInChI=1S/C19H21N7O2/c1-12-7-5-6-8-14(12)15-9-16(26(4)24-15)23-18(28)17(27)22-13-10-20-19(21-11-13)25(2)3/h5-11H,1-4H3,(H,22,27)(H,23,28)
InChIKeyIMSFUZLVOUHCLT-UHFFFAOYSA-N
XLogP1.83
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide (CID 122149755) is N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide is Cc1ccccc1-c1cc(NC(=O)C(=O)Nc2cnc(N(C)C)nc2)n(C)n1.
What is the InChIKey of N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide?
The InChIKey is IMSFUZLVOUHCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12-7-5-6-8-14(12)15-9-16(26(4)24-15)23-18(28)17(27)22-13-10-20-19(21-11-13)25(2)3/h5-11H,1-4H3,(H,22,27)(H,23,28).
What are the key properties of N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide?
N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide has a molecular weight of 379.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide is sourced from PubChem (CID 122149755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).