acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide

C31H39F2N7O3 — CID 145228569

About acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide

acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide (PubChem CID 145228569) has the molecular formula C31H39F2N7O3 and a molecular weight of 595.70 g/mol. Its IUPAC name is acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide.

Molecular Properties

• Compound Name: acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide
• PubChem CID: 145228569
• Molecular Formula: C31H39F2N7O3
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.31
• IUPAC Name: acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide
• SMILES: C#C.CCCN1C[C@@H](NC=O)CO1.CNc1c(C)c(C2=CNC(OC)=NC2)nn1-c1ccccc1.Fc1ccccc1F
• InChI: InChI=1S/C16H19N5O.C7H14N2O2.C6H4F2.C2H2/c1-11-14(12-9-18-16(22-3)19-10-12)20-21(15(11)17-2)13-7-5-4-6-8-13;1-2-3-9-4-7(5-11-9)8-6-10;7-5-3-1-2-4-6(5)8;1-2/h4-9,17H,10H2,1-3H3,(H,18,19);6-7H,2-5H2,1H3,(H,8,10);1-4H;1-2H/t;7-;;/m.1../s1
• InChIKey: CXPXBIRPMVWQRA-YGPBBXEFSA-N
• XLogP: 4.14
• TPSA: 105.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide?

The IUPAC name of acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide (CID 145228569) is acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide.

What is the SMILES notation for acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide?

The canonical SMILES for acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide is C#C.CCCN1C[C@@H](NC=O)CO1.CNc1c(C)c(C2=CNC(OC)=NC2)nn1-c1ccccc1.Fc1ccccc1F.

What is the InChIKey of acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide?

The InChIKey is CXPXBIRPMVWQRA-YGPBBXEFSA-N. The full InChI is InChI=1S/C16H19N5O.C7H14N2O2.C6H4F2.C2H2/c1-11-14(12-9-18-16(22-3)19-10-12)20-21(15(11)17-2)13-7-5-4-6-8-13;1-2-3-9-4-7(5-11-9)8-6-10;7-5-3-1-2-4-6(5)8;1-2/h4-9,17H,10H2,1-3H3,(H,18,19);6-7H,2-5H2,1H3,(H,8,10);1-4H;1-2H/t;7-;;/m.1../s1.

What are the key properties of acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide?

acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide has a molecular weight of 595.70 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide is sourced from PubChem (CID 145228569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).