5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine

C64H71Br3N18O4 — CID 158265566

About 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine

5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 158265566) has the molecular formula C64H71Br3N18O4 and a molecular weight of 1396.11 g/mol. Its IUPAC name is 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

• Compound Name: 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
• PubChem CID: 158265566
• Molecular Formula: C64H71Br3N18O4
• Molecular Weight: 1396.11 g/mol
• Exact Mass: 1392.35
• IUPAC Name: 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
• SMILES: C[C@@H]1C[C@@]1(N)c1cnn(C)c1.C[C@@H]1C[C@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(N)c1cnn(C)c1.C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.O=C(O)c1cc2cc(Br)ccc2[nH]1.[C-]#[N+]c1cnn(C)c1
• InChI: InChI=1S/2C17H17BrN4O.C9H6BrNO2.2C8H13N3.C5H5N3/c2*1-10-7-17(10,12-8-19-22(2)9-12)21-16(23)15-6-11-5-13(18)3-4-14(11)20-15;10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;2*1-6-3-8(6,9)7-4-10-11(2)5-7;1-6-5-3-7-8(2)4-5/h2*3-6,8-10,20H,7H2,1-2H3,(H,21,23);1-4,11H,(H,12,13);2*4-6H,3,9H2,1-2H3;3-4H,2H3/t2*10-,17-;;6-,8+;6-,8-;/m10.10./s1
• InChIKey: GIJYJLRHFHAJQE-JXBJCENFSA-N
• XLogP: 11.49
• TPSA: 288.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1396.11
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?

The IUPAC name of 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine (CID 158265566) is 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine.

What is the SMILES notation for 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?

The canonical SMILES for 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine is C[C@@H]1C[C@@]1(N)c1cnn(C)c1.C[C@@H]1C[C@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(N)c1cnn(C)c1.C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.O=C(O)c1cc2cc(Br)ccc2[nH]1.[C-]#[N+]c1cnn(C)c1.

What is the InChIKey of 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?

The InChIKey is GIJYJLRHFHAJQE-JXBJCENFSA-N. The full InChI is InChI=1S/2C17H17BrN4O.C9H6BrNO2.2C8H13N3.C5H5N3/c2*1-10-7-17(10,12-8-19-22(2)9-12)21-16(23)15-6-11-5-13(18)3-4-14(11)20-15;10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;2*1-6-3-8(6,9)7-4-10-11(2)5-7;1-6-5-3-7-8(2)4-5/h2*3-6,8-10,20H,7H2,1-2H3,(H,21,23);1-4,11H,(H,12,13);2*4-6H,3,9H2,1-2H3;3-4H,2H3/t2*10-,17-;;6-,8+;6-,8-;/m10.10./s1.

What are the key properties of 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine?

5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 1396.11 g/mol, XLogP of 11.49, 9 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-indole-2-carboxylic acid;5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 158265566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).