2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C18H23BrN4O3 — CID 75398261

IUPAC2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCON(C)CC(O)Cn1cc(NC(=O)C2CC2c2ccc(Br)cc2)cn1
InChIInChI=1S/C18H23BrN4O3/c1-22(26-2)10-15(24)11-23-9-14(8-20-23)21-18(25)17-7-16(17)12-3-5-13(19)6-4-12/h3-6,8-9,15-17,24H,7,10-11H2,1-2H3,(H,21,25)
InChIKeyLZNAWPGBYVYAHT-UHFFFAOYSA-N
MW423.31 g/mol
LogP2.24
Rot. Bonds8

About 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 75398261) has the molecular formula C18H23BrN4O3 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID75398261
Molecular FormulaC18H23BrN4O3
Molecular Weight423.31 g/mol
Exact Mass422.10
IUPAC Name2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCON(C)CC(O)Cn1cc(NC(=O)C2CC2c2ccc(Br)cc2)cn1
InChIInChI=1S/C18H23BrN4O3/c1-22(26-2)10-15(24)11-23-9-14(8-20-23)21-18(25)17-7-16(17)12-3-5-13(19)6-4-12/h3-6,8-9,15-17,24H,7,10-11H2,1-2H3,(H,21,25)
InChIKeyLZNAWPGBYVYAHT-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 75398261) is 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide is CON(C)CC(O)Cn1cc(NC(=O)C2CC2c2ccc(Br)cc2)cn1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is LZNAWPGBYVYAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3/c1-22(26-2)10-15(24)11-23-9-14(8-20-23)21-18(25)17-7-16(17)12-3-5-13(19)6-4-12/h3-6,8-9,15-17,24H,7,10-11H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75398261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).