N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane

C53H57ClF5N9O4 — CID 158215892

About N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane

N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane (PubChem CID 158215892) has the molecular formula C53H57ClF5N9O4 and a molecular weight of 1014.54 g/mol. Its IUPAC name is N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane.

Molecular Properties

• Compound Name: N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane
• PubChem CID: 158215892
• Molecular Formula: C53H57ClF5N9O4
• Molecular Weight: 1014.54 g/mol
• Exact Mass: 1013.41
• IUPAC Name: N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane
• SMILES: C.CCN(CC)CC.Nc1ccn(-c2ccnc(F)c2)n1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.O=C(O)C1(c2ccccc2F)CC1
• InChI: InChI=1S/C18H14F2N4O.C10H8ClFO.C10H9FO2.C8H7FN4.C6H15N.CH4/c19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;11-8-4-2-1-3-7(8)10(5-6-10)9(12)13;9-7-5-6(1-3-11-7)13-4-2-8(10)12-13;1-4-7(5-2)6-3;/h1-6,9-11H,7-8H2,(H,22,23,25);1-4H,5-6H2;1-4H,5-6H2,(H,12,13);1-5H,(H2,10,12);4-6H2,1-3H3;1H4
• InChIKey: GCQGBOBCYZBBOS-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 174.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.54
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?

The IUPAC name of N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane (CID 158215892) is N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane.

What is the SMILES notation for N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?

The canonical SMILES for N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane is C.CCN(CC)CC.Nc1ccn(-c2ccnc(F)c2)n1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.O=C(O)C1(c2ccccc2F)CC1.

What is the InChIKey of N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?

The InChIKey is GCQGBOBCYZBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O.C10H8ClFO.C10H9FO2.C8H7FN4.C6H15N.CH4/c19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;11-8-4-2-1-3-7(8)10(5-6-10)9(12)13;9-7-5-6(1-3-11-7)13-4-2-8(10)12-13;1-4-7(5-2)6-3;/h1-6,9-11H,7-8H2,(H,22,23,25);1-4H,5-6H2;1-4H,5-6H2,(H,12,13);1-5H,(H2,10,12);4-6H2,1-3H3;1H4.

What are the key properties of N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?

N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane has a molecular weight of 1014.54 g/mol, XLogP of 10.75, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane is sourced from PubChem (CID 158215892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).