1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine

C₆₄H₇₇Cl₂F₃N₈O₄ — CID 158303562

About 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine

1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine (PubChem CID 158303562) has the molecular formula C₆₄H₇₇Cl₂F₃N₈O₄ and a molecular weight of 1150.27 g/mol. Its IUPAC name is 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine.

Molecular Properties

• Compound Name: 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine
• PubChem CID: 158303562
• Molecular Formula: C₆₄H₇₇Cl₂F₃N₈O₄
• Molecular Weight: 1150.27 g/mol
• Exact Mass: 1148.54
• IUPAC Name: 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine
• SMILES: CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.Cc1cc(N)nn1-c1ccccc1.Cc1cc(NC(=O)C2(c3ccccc3F)CC2)nn1-c1ccccc1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(O)C1(c2ccccc2F)CC1
• InChI: InChI=1S/C20H18FN3O.C10H8ClFO.C10H9FO2.C10H11N3.C8H19N.C6H12ClN/c1-14-13-18(23-24(14)15-7-3-2-4-8-15)22-19(25)20(11-12-20)16-9-5-6-10-17(16)21;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;1-8-7-10(11)12-13(8)9-5-3-2-4-6-9;1-6-9(7(2)3)8(4)5;1-5(2)6(7)8(3)4/h2-10,13H,11-12H2,1H3,(H,22,23,25);1-4H,5-6H2;1-4H,5-6H2,(H,12,13);2-7H,1H3,(H2,11,12);7-8H,6H2,1-5H3;1-4H3
• InChIKey: GMUHBAMRJYPHKZ-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 151.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.27
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine?

The IUPAC name of 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine (CID 158303562) is 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine.

What is the SMILES notation for 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine?

The canonical SMILES for 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine is CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.Cc1cc(N)nn1-c1ccccc1.Cc1cc(NC(=O)C2(c3ccccc3F)CC2)nn1-c1ccccc1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(O)C1(c2ccccc2F)CC1.

What is the InChIKey of 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine?

The InChIKey is GMUHBAMRJYPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O.C10H8ClFO.C10H9FO2.C10H11N3.C8H19N.C6H12ClN/c1-14-13-18(23-24(14)15-7-3-2-4-8-15)22-19(25)20(11-12-20)16-9-5-6-10-17(16)21;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;1-8-7-10(11)12-13(8)9-5-3-2-4-6-9;1-6-9(7(2)3)8(4)5;1-5(2)6(7)8(3)4/h2-10,13H,11-12H2,1H3,(H,22,23,25);1-4H,5-6H2;1-4H,5-6H2,(H,12,13);2-7H,1H3,(H2,11,12);7-8H,6H2,1-5H3;1-4H3.

What are the key properties of 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine?

1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine has a molecular weight of 1150.27 g/mol, XLogP of 14.48, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-N,N,2-trimethylprop-1-en-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide;5-methyl-1-phenylpyrazol-3-amine is sourced from PubChem (CID 158303562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158303562 — identifiers, structure, computed properties (public domain)

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